Geometry & MOs

Info

ID:	124628
PubChem CID:	50890041
Reduced:	BrNSO4H14C15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	396.99834
ΔH_f, kcal/mol:	-115.78
Dipole, Da:	7.16
IP(EA), eV:	-9.37(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(N-(4-bromophenyl)sulfonyl-3-methylanilino)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations