Geometry & MOs

Info

ID:	124614
PubChem CID:	50889699
Reduced:	ClSN4O4C17H19 (1)
Stoich.:	ABC4D4E17F19 (1)
Weight, g/mol:	337.078407
ΔH_f, kcal/mol:	-115.46
Dipole, Da:	5.92
IP(EA), eV:	-9.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N(CC(=O)NN)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations