Geometry & MOs

Info

ID:	77713
PubChem CID:	49658689
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	458.141262
ΔH_f, kcal/mol:	-49.14
Dipole, Da:	10.16
IP(EA), eV:	-8.51(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-phenylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC(=CC=C1)N2C=CN=C2SCC(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations