Geometry & MOs

Info

ID:	288868
PubChem CID:	104327387
Reduced:	FNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-205.38
Dipole, Da:	6.6
IP(EA), eV:	-9.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-fluoro-2-methylbenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)N2CC(CC2C(=O)O)OC

DOS

IR

Vibrations