Geometry & MOs

Info

ID:	301250
PubChem CID:	123071370
Reduced:	FOSN4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	394.022201
ΔH_f, kcal/mol:	44.97
Dipole, Da:	9.06
IP(EA), eV:	-8.92(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(2,6-dichlorophenyl)-N-[3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations