Geometry & MOs

Info

ID:	131581
PubChem CID:	51230559
Reduced:	SN4O4H18C19 (1)
Stoich.:	AB4C4D18E19 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-66.01
Dipole, Da:	8.48
IP(EA), eV:	-9.4(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-nitrophenyl)sulfanylpropanoylamino]-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

C=CCNC(=O)C1=CC=CC=C1NC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations