Geometry & MOs

Info

ID:	158730
PubChem CID:	56465242
Reduced:	O3N5C26H39 (1)
Stoich.:	A3B5C26D39 (1)
Weight, g/mol:	422.130028
ΔH_f, kcal/mol:	-136.15
Dipole, Da:	5.56
IP(EA), eV:	-8.21(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-methylphenyl)-3-(benzenesulfonylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)NC(CN3CCN(CC3)C)C4=CC=CC=C4)(C)C

DOS

IR

Vibrations