Geometry & MOs

Info

ID:	258413
PubChem CID:	103153558
Reduced:	FNSO5C12H16 (1)
Stoich.:	ABCD5E12F16 (1)
Weight, g/mol:	316.052921
ΔH_f, kcal/mol:	-244.23
Dipole, Da:	6.23
IP(EA), eV:	-10.27(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyano-3-fluorophenyl)sulfonylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)S(=O)(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations