Geometry & MOs

Info

ID:	314736
PubChem CID:	126622916
Reduced:	ClFO3N8H22C25 (1)
Stoich.:	ABC3D8E22F25 (1)
Weight, g/mol:	232.13872
ΔH_f, kcal/mol:	-29.6
Dipole, Da:	7.39
IP(EA), eV:	-9.17(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=CN=CC(=N5)Cl)F

DOS

IR

Vibrations