Geometry & MOs

Info

ID:	77715
PubChem CID:	49658710
Reduced:	SN4O4H24C26 (1)
Stoich.:	AB4C4D24E26 (1)
Weight, g/mol:	453.125946
ΔH_f, kcal/mol:	-47.11
Dipole, Da:	6.78
IP(EA), eV:	-8.46(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2-cyanoanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-phenylbenzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations