Geometry & MOs

Info

ID:	77711
PubChem CID:	49658687
Reduced:	SO2N4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	436.193297
ΔH_f, kcal/mol:	-30.0
Dipole, Da:	9.22
IP(EA), eV:	-8.4(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC(=CC=C1)N2C=CN=C2SCC(=O)NC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations