Geometry & MOs

Info

ID:	303485
PubChem CID:	124489802
Reduced:	FN2H15C21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	347.069114
ΔH_f, kcal/mol:	85.2
Dipole, Da:	3.68
IP(EA), eV:	-9.44(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-amino-4-(2,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid

Drug info:

PubChemData

Smile

C1CC1C2=NC3=CC=CC=C3C(=C2/C=C\C#N)C4=CC=C(C=C4)F

DOS

IR

Vibrations