Geometry & MOs

Info

ID:	77712
PubChem CID:	49658688
Reduced:	SO2N4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	4.79
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC(=CC=C1)N2C=CN=C2SCC(=O)NC3=C(C=CC=C3C)C

DOS

IR

Vibrations