Geometry & MOs

Info

ID:	301255
PubChem CID:	123071375
Reduced:	SF2N4H14C17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	416.13184
ΔH_f, kcal/mol:	38.53
Dipole, Da:	7.62
IP(EA), eV:	-8.93(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3,4,5-trimethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC=C(C=C2)F)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations