Geometry & MOs

Info

ID:	200766
PubChem CID:	79440442
Reduced:	FNSC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	290.037958
ΔH_f, kcal/mol:	-10.36
Dipole, Da:	0.77
IP(EA), eV:	-8.99(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-ethylsulfonylbutanoic acid

Drug info:

PubChemData

Smile

CCNCC(CC1=CC=CS1)C2=CC(=CC=C2)F

DOS

IR

Vibrations