Geometry & MOs

Info

ID:	28754
PubChem CID:	829366
Reduced:	O2F3N3H14C15 (1)
Stoich.:	A2B3C3D14E15 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-176.08
Dipole, Da:	8.07
IP(EA), eV:	-9.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-benzyl-4-(4-methoxyanilino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C2N[C@@H](C[C@@H](N2N=C1)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations