Geometry & MOs

Info

ID:	328132
PubChem CID:	126692187
Reduced:	N3F5O6H28C30 (1)
Stoich.:	A3B5C6D28E30 (1)
Weight, g/mol:	649.20114
ΔH_f, kcal/mol:	-431.74
Dipole, Da:	3.05
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-hydroxyphenyl]cyclobutane-1-carboxylic 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=C(C=CC(=N2)N3CC(C3)(F)F)C4=C(C=CC(=C4)CCC(=O)O)OC)C5=CC(=CC=C5)OC(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=C(C=CC(=N2)N3CC(C3)(F)F)C4=C(C=CC(=C4)CCC(=O)O)OC)C5=CC(=CC=C5)OC(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):