Geometry & MOs

Info

ID:	301261
PubChem CID:	123071381
Reduced:	FSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	327.095395
ΔH_f, kcal/mol:	3.34
Dipole, Da:	6.85
IP(EA), eV:	-8.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-pyridin-3-ylmethanimine

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=C(C=CC(=C2)OC)OC)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations