Geometry & MOs

Info

ID:	425267
PubChem CID:	135125732
Reduced:	SF2N4O4C22H26 (1)
Stoich.:	AB2C4D4E22F26 (1)
Weight, g/mol:	350.89349
ΔH_f, kcal/mol:	-183.64
Dipole, Da:	5.68
IP(EA), eV:	-9.08(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CC(COC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)[C@@]3(CS(=O)(=O)C(C(=N3)N)(C)C)C)/F)O

DOS

IR

Vibrations