Geometry & MOs

Info

ID:	301313
PubChem CID:	123071433
Reduced:	FSO2N4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	428.168225
ΔH_f, kcal/mol:	-4.04
Dipole, Da:	6.85
IP(EA), eV:	-8.66(-0.9)
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-methoxy-4-propan-2-yloxyphenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations