Geometry & MOs

Info

ID:	303480
PubChem CID:	124489794
Reduced:	ClNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	297.137636
ΔH_f, kcal/mol:	-194.12
Dipole, Da:	5.51
IP(EA), eV:	-9.9(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]([C@H](CC1=CC=CC=C1Cl)N)C(=O)O

DOS

IR

Vibrations