Geometry & MOs

Info

ID:	325909
PubChem CID:	126685511
Reduced:	N2O9C17H18 (1)
Stoich.:	A2B9C17D18 (1)
Weight, g/mol:	340.079012
ΔH_f, kcal/mol:	-241.42
Dipole, Da:	5.27
IP(EA), eV:	-10.54(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-(4-chlorophenyl)-3-[5-(1,1-difluoroethyl)pyridin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(O)OC(=O)OCC1=C(C=C(C=C1)C(=O)NCC#C)[N+](=O)[O-]

DOS

IR

Vibrations