Geometry & MOs

Info

ID:	314770
PubChem CID:	126623037
Reduced:	ClOF2N2C11H19 (1)
Stoich.:	ABC2D2E11F19 (1)
Weight, g/mol:	232.13872
ΔH_f, kcal/mol:	-192.25
Dipole, Da:	2.11
IP(EA), eV:	-9.28(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=C(C)C)F)NC(=O)[C@@H]1C[C@H](CN1)F.Cl

DOS

IR

Vibrations