Geometry & MOs

Info

ID:	124599
PubChem CID:	50888869
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	443.95462
ΔH_f, kcal/mol:	-81.38
Dipole, Da:	4.63
IP(EA), eV:	-8.94(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(4-acetamidophenyl)sulfonyl-4-bromoanilino)acetyl chloride

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)OC)CC3=CC=CC=C3

DOS

IR

Vibrations