Geometry & MOs

Info

ID:	60544
PubChem CID:	26697166
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	373.109627
ΔH_f, kcal/mol:	-64.03
Dipole, Da:	6.97
IP(EA), eV:	-8.48(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylanilino)-2-oxoethyl]-4-methylsulfanyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations