Geometry & MOs

Info

ID:	301320
PubChem CID:	123071440
Reduced:	FSO2N4C24H29 (1)
Stoich.:	ABC2D4E24F29 (1)
Weight, g/mol:	398.157661
ΔH_f, kcal/mol:	-21.7
Dipole, Da:	4.82
IP(EA), eV:	-8.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations