Geometry & MOs

Info

ID:	301225
PubChem CID:	123070767
Reduced:	OSN4C26H26 (1)
Stoich.:	ABC4D26E26 (1)
Weight, g/mol:	360.061173
ΔH_f, kcal/mol:	103.73
Dipole, Da:	7.72
IP(EA), eV:	-8.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=CC=C3)CCC4=CC=CC=C4

DOS

IR

Vibrations