Geometry & MOs

Info

ID:	132619
PubChem CID:	51387814
Reduced:	SCl2O2N4H14C20 (1)
Stoich.:	AB2C2D4E14F20 (1)
Weight, g/mol:	460.156912
ΔH_f, kcal/mol:	23.17
Dipole, Da:	4.55
IP(EA), eV:	-9.43(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[(4Z)-1-(3,5-dimethylphenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CC(=N)[C@@H](C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations