Geometry & MOs

Info

ID:	124670
PubChem CID:	50891842
Reduced:	BrNSO4C18H20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	367.064507
ΔH_f, kcal/mol:	-141.44
Dipole, Da:	4.9
IP(EA), eV:	-9.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(4-chlorophenyl)sulfonyl-3,5-dimethylanilino)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations