Geometry & MOs

Info

ID:	37648
PubChem CID:	8022793
Reduced:	ClN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	51.48
Dipole, Da:	3.52
IP(EA), eV:	-8.53(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)[C@H](CN)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations