Geometry & MOs

Info

ID:	149804
PubChem CID:	53789481
Reduced:	NSO2C6H10 (2)
Stoich.:	ABC2D6E10 (2)
Weight, g/mol:	324.172545
ΔH_f, kcal/mol:	-145.91
Dipole, Da:	3.65
IP(EA), eV:	-9.39(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-7-phenyl-2-(2-phenylethyl)heptanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC=CC1CC(CN1C(=O)OCC=C)S

DOS

IR

Vibrations