Geometry & MOs

Info

ID:	77662
PubChem CID:	49658605
Reduced:	N3O5H21C26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	456.161997
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	3.4
IP(EA), eV:	-8.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C4=NC(=NO4)C5=CC(=CC=C5)OC)OC

DOS

IR

Vibrations