Geometry & MOs

Info

ID:	325880
PubChem CID:	126685390
Reduced:	CFP2H5O6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	317.099413
ΔH_f, kcal/mol:	-427.98
Dipole, Da:	2.48
IP(EA), eV:	-11.65(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)propanoic acid

Drug info:

PubChemData

Smile

C(F)P(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations