Geometry & MOs

Info

ID:	303479
PubChem CID:	124489792
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	313.108086
ΔH_f, kcal/mol:	-129.09
Dipole, Da:	4.58
IP(EA), eV:	-9.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@]2(C=CC=C[C@H]2CC(=O)O)O

DOS

IR

Vibrations