Geometry & MOs

Info

ID:	328130
PubChem CID:	126692179
Reduced:	BrN3O5F6H30C32 (1)
Stoich.:	AB3C5D6E30F32 (1)
Weight, g/mol:	745.1586
ΔH_f, kcal/mol:	-466.24
Dipole, Da:	13.11
IP(EA), eV:	-8.95(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[6-(azetidin-1-yl)-5-bromo-4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-[(3E,5E)-7,7,7-trifluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]propanoic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1[C@H](OC(=O)N1CC2=NC(=C(C(=C2C3=C(C=CC(=C3)CCC(=O)O)OC)C)Br)N4CCC4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1[C@H](OC(=O)N1CC2=NC(=C(C(=C2C3=C(C=CC(=C3)CCC(=O)O)OC)C)Br)N4CCC4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):