Geometry & MOs

Info

ID:	425240
PubChem CID:	135125616
Reduced:	SF3O3N6C27H27 (1)
Stoich.:	AB3C3D6E27F27 (1)
Weight, g/mol:	325.91192
ΔH_f, kcal/mol:	-144.95
Dipole, Da:	8.69
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(1-fluoro-2-iodoethenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C#CC3=CN=C(S3)NC(=O)N4CCOC(C4)CN(C)C

DOS

IR

Vibrations