Geometry & MOs

Info

ID:	141357
PubChem CID:	52865750
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	406.03506
ΔH_f, kcal/mol:	-35.38
Dipole, Da:	5.83
IP(EA), eV:	-9.04(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromophenyl)sulfanylpropanoylamino]-N,6-dimethylbenzamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)NC1=CC=C(C=C1)C2=NC(=NO2)C(C)C

DOS

IR

Vibrations