Geometry & MOs

Info

ID:	301277
PubChem CID:	123071397
Reduced:	FSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	444.16314
ΔH_f, kcal/mol:	-21.99
Dipole, Da:	6.32
IP(EA), eV:	-8.84(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1NC=C2C=C(C(=O)C(=C2)OC)OC)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations