Geometry & MOs

Info

ID:	132323
PubChem CID:	51342978
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	461.90714
ΔH_f, kcal/mol:	-181.57
Dipole, Da:	2.82
IP(EA), eV:	-9.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-N-methylsulfonylanilino)-N-(3-bromophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations