Geometry & MOs

Info

ID:	124631
PubChem CID:	50890414
Reduced:	BrNSO4H14C15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	427.96777
ΔH_f, kcal/mol:	-114.62
Dipole, Da:	10.29
IP(EA), eV:	-9.75(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-N-(3-nitrophenyl)sulfonylanilino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2Br

DOS

IR

Vibrations