Geometry & MOs

Info

ID:	322194
PubChem CID:	126669189
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	281.106336
ΔH_f, kcal/mol:	-152.2
Dipole, Da:	4.43
IP(EA), eV:	-9.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,4R)-4-[(2E,4E)-2-fluoro-4-methoxyhepta-2,4-dien-6-ynyl]-2-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(C(=C1)F)C2CNC(=O)[C@H]2C(=O)OC

DOS

IR

Vibrations