Geometry & MOs

Info

ID:	124619
PubChem CID:	50889893
Reduced:	SN2O6H14C15 (1)
Stoich.:	AB2C6D14E15 (1)
Weight, g/mol:	323.038292
ΔH_f, kcal/mol:	-121.55
Dipole, Da:	6.55
IP(EA), eV:	-9.65(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(benzenesulfonyl)-4-methylanilino]acetyl chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations