Geometry & MOs

Info

ID:	314720
PubChem CID:	126622823
Reduced:	PO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	337.098646
ΔH_f, kcal/mol:	-170.54
Dipole, Da:	2.48
IP(EA), eV:	-9.01(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-2-[[1-(5-fluoropyridin-2-yl)pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)OP(O)OC1=CC=CC=C1

DOS

IR

Vibrations