Geometry & MOs

Info

ID:	328033
PubChem CID:	126691805
Reduced:	N4O5F6C38H38 (1)
Stoich.:	A4B5C6D38E38 (1)
Weight, g/mol:	654.191304
ΔH_f, kcal/mol:	-446.7
Dipole, Da:	8.99
IP(EA), eV:	-8.44(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-4-hydroxyphenyl]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

CCOC(=O)C1=C(C(=C(N1C)C)C2=CC(=C(C=C2)OC)C3=C(N=C(C=C3)N4CCC4)CN5C([C@H](OC5=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)C)C

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

CCOC(=O)C1=C(C(=C(N1C)C)C2=CC(=C(C=C2)OC)C3=C(N=C(C=C3)N4CCC4)CN5C([C@H](OC5=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):