Geometry & MOs

Info

ID:	301232
PubChem CID:	123071351
Reduced:	FOSN4C22H25 (1)
Stoich.:	ABCD4E22F25 (1)
Weight, g/mol:	394.022201
ΔH_f, kcal/mol:	21.22
Dipole, Da:	9.11
IP(EA), eV:	-8.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)F)C

DOS

IR

Vibrations