Geometry & MOs

Info

ID:	77714
PubChem CID:	49658708
Reduced:	SO3N4H22C25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	488.151826
ΔH_f, kcal/mol:	-6.35
Dipole, Da:	5.94
IP(EA), eV:	-8.35(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-phenylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations