Geometry & MOs

Info

ID:	210069
PubChem CID:	80757759
Reduced:	FN2O4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	260.060863
ΔH_f, kcal/mol:	-209.65
Dipole, Da:	5.5
IP(EA), eV:	-9.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3,5-difluorophenyl)carbamoylamino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations