Geometry & MOs

Info

ID:	321824
PubChem CID:	126667025
Reduced:	S2N3O3C13H17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	251.093327
ΔH_f, kcal/mol:	-84.52
Dipole, Da:	4.76
IP(EA), eV:	-8.91(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-2-[2-(difluoromethoxy)-5-fluorocyclohexa-2,4-dien-1-yl]-4-fluoropyrrolidine

Drug info:

PubChemData

Smile

CCCCOC(=O)NC1=NC(=CS1)C2=C(N=C(S2)CO)C

DOS

IR

Vibrations