Geometry & MOs

Info

ID:	203275
PubChem CID:	79806387
Reduced:	SN3O4C12H21 (1)
Stoich.:	AB3C4D12E21 (1)
Weight, g/mol:	279.127072
ΔH_f, kcal/mol:	-169.93
Dipole, Da:	14.4
IP(EA), eV:	-9.56(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[3-(4-fluorophenyl)prop-2-enoylamino]butanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NS(=O)(=O)C1=CN(C(=N1)C)CC

DOS

IR

Vibrations