Geometry & MOs

Info

ID:	124622
PubChem CID:	50889912
Reduced:	BrNSO4C16H16 (1)
Stoich.:	ABCD4E16F16 (1)
Weight, g/mol:	411.01399
ΔH_f, kcal/mol:	-129.55
Dipole, Da:	3.97
IP(EA), eV:	-9.1(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-(4-bromophenyl)sulfonyl-3-methylanilino)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations