Geometry & MOs

Info

ID:	301290
PubChem CID:	123071410
Reduced:	SF2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	476.168225
ΔH_f, kcal/mol:	32.5
Dipole, Da:	6.33
IP(EA), eV:	-8.81(-1.18)
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-2-phenylmethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC=CC=C2F)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations