Geometry & MOs

Info

ID:	124755
PubChem CID:	50895314
Reduced:	NSO4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	396.05467
ΔH_f, kcal/mol:	-126.84
Dipole, Da:	4.84
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(3-nitrophenyl)sulfonyl-4-propan-2-ylanilino)acetyl chloride

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC(=O)OC)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations