Geometry & MOs

Info

ID:	124715
PubChem CID:	50893626
Reduced:	NSO4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	401.984398
ΔH_f, kcal/mol:	-134.71
Dipole, Da:	7.42
IP(EA), eV:	-9.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-N-(4-methylphenyl)sulfonyl-5-nitroanilino)acetyl chloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N(CCCC(=O)O)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations