Geometry & MOs

Info

ID:	301312
PubChem CID:	123071432
Reduced:	FOSN4C22H25 (1)
Stoich.:	ABCD4E22F25 (1)
Weight, g/mol:	414.152575
ΔH_f, kcal/mol:	25.59
Dipole, Da:	4.09
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)F)CC

DOS

IR

Vibrations