Geometry & MOs

Info

ID:	124629
PubChem CID:	50890042
Reduced:	BrNSO4C16H16 (1)
Stoich.:	ABCD4E16F16 (1)
Weight, g/mol:	420.89418
ΔH_f, kcal/mol:	-119.42
Dipole, Da:	3.87
IP(EA), eV:	-8.89(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(4-bromophenyl)sulfonyl-3-chloroanilino)acetyl chloride

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC(=O)OC)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations