Geometry & MOs

Info

ID:	124608
PubChem CID:	50889488
Reduced:	ClSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	414.96445
ΔH_f, kcal/mol:	-147.35
Dipole, Da:	8.12
IP(EA), eV:	-9.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(4-bromophenyl)sulfonyl-2-methylanilino)propanoyl chloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C(C)C(=O)Cl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

DOS

IR

Vibrations