Geometry & MOs

Info

ID:	301315
PubChem CID:	123071435
Reduced:	FSO2N4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	428.168225
ΔH_f, kcal/mol:	-20.02
Dipole, Da:	5.51
IP(EA), eV:	-8.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC(=C(C=C2)OC(C)C)OCC)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations