Geometry & MOs

Info

ID:	206550
PubChem CID:	80267914
Reduced:	OF2N2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	282.101585
ΔH_f, kcal/mol:	-77.23
Dipole, Da:	1.78
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[(2-fluoro-4-methylbenzoyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN(C)CC(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations