Geometry & MOs

Info

ID:	77681
PubChem CID:	49658633
Reduced:	O2S2N4H24C25 (1)
Stoich.:	A2B2C4D24E25 (1)
Weight, g/mol:	473.098017
ΔH_f, kcal/mol:	17.81
Dipole, Da:	3.31
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(thiophen-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NCC4=CC=CS4

DOS

IR

Vibrations