Geometry & MOs

Info

ID:	325846
PubChem CID:	126685278
Reduced:	ClNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	334.10842
ΔH_f, kcal/mol:	-109.3
Dipole, Da:	3.12
IP(EA), eV:	-9.28(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxypyridin-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C(CC(=O)N1[C@H](COC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations