Geometry & MOs

Info

ID:	304347
PubChem CID:	124553585
Reduced:	SN3O5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	557.084591
ΔH_f, kcal/mol:	-19.59
Dipole, Da:	11.8
IP(EA), eV:	-8.97(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC(=CC(=C3)OC)OC)[N+](=O)[O-]

DOS

IR

Vibrations