Geometry & MOs

Info

ID:	28686
PubChem CID:	828961
Reduced:	O2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	329.142722
ΔH_f, kcal/mol:	2.39
Dipole, Da:	7.53
IP(EA), eV:	-8.6(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-4-(4-fluoroanilino)-3-methyl-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C(=O)NN=C(C)C2=CC=C(C=C2)O

DOS

IR

Vibrations