Geometry & MOs

Info

ID:	55565
PubChem CID:	17395567
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	477.208613
ΔH_f, kcal/mol:	-79.5
Dipole, Da:	3.37
IP(EA), eV:	-8.97(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2CC(=O)N(C2)CC3=CC=CO3

DOS

IR

Vibrations