Geometry & MOs

Info

ID:	124780
PubChem CID:	50895660
Reduced:	NSCl2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	412.049585
ΔH_f, kcal/mol:	-153.57
Dipole, Da:	2.87
IP(EA), eV:	-9.31(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-chloro-3-methyl-N-(2-nitrophenyl)sulfonylanilino)acetate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)N(C(C)C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations