Geometry & MOs

Info

ID:	143991
PubChem CID:	53293742
Reduced:	SF3N3O4C13H13 (1)
Stoich.:	AB3C3D4E13F13 (1)
Weight, g/mol:	447.09768
ΔH_f, kcal/mol:	-239.26
Dipole, Da:	6.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759617
Charge, e:	0

Chem-info

IUPAC name:

(1E)-2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(3-propan-2-yloxadiazol-3-ium-5-yl)ethanimidate

Drug info:

PubChemData

Smile

C[N+]1=C(C(=O)ON1)SCCC(=O)NC2=CC=CC=C2OC(F)(F)F

DOS

IR

Vibrations