Geometry & MOs

Info

ID:	35295
PubChem CID:	7979642
Reduced:	SN3O6C18H25 (1)
Stoich.:	AB3C6D18E25 (1)
Weight, g/mol:	343.116821
ΔH_f, kcal/mol:	-237.01
Dipole, Da:	8.33
IP(EA), eV:	-9.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-hydroxy-4-methylanilino)-3-oxopropyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCC2

DOS

IR

Vibrations