Geometry & MOs

Info

ID:	321792
PubChem CID:	126666985
Reduced:	SO2F3N3H12C20 (1)
Stoich.:	AB2C3D3E12F20 (1)
Weight, g/mol:	199.117256
ΔH_f, kcal/mol:	-93.41
Dipole, Da:	5.89
IP(EA), eV:	-8.95(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-4-fluoro-2-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=C(N=C(S2)NC(=O)C3=C(C=CC=C3F)F)C4=CN=CO4)CF

DOS

IR

Vibrations