Geometry & MOs

Info

ID:	194520
PubChem CID:	78548044
Reduced:	NO3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	393.080157
ΔH_f, kcal/mol:	-139.2
Dipole, Da:	6.34
IP(EA), eV:	-9.78(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C(C2=CC=CC=C2)O)C

DOS

IR

Vibrations