Geometry & MOs

Info

ID:	322199
PubChem CID:	126669198
Reduced:	FNO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	309.06242
ΔH_f, kcal/mol:	-157.75
Dipole, Da:	7.12
IP(EA), eV:	-9.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[4-(difluoromethoxy)-2,6-difluorocyclohexa-2,4-dien-1-yl]-2-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CO/C(=C/C#C)/C=C(\C[C@H]1CNC(=O)[C@@H]1C(=O)O)/F

DOS

IR

Vibrations