Geometry & MOs

Info

ID:	325836
PubChem CID:	126685216
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	319.13322
ΔH_f, kcal/mol:	-167.48
Dipole, Da:	2.89
IP(EA), eV:	-8.8(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-(4-fluorophenyl)-3-(2-propan-2-yloxypyrimidin-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)OC)N(CC(C)C(=O)O)C(=O)C

DOS

IR

Vibrations