Geometry & MOs

Info

ID:	124627
PubChem CID:	50890040
Reduced:	NSCl2O4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	382.98269
ΔH_f, kcal/mol:	-141.45
Dipole, Da:	7.38
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(4-bromophenyl)sulfonyl-3-methylanilino)acetic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CCCC(=O)O)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations