Geometry & MOs

Info

ID:	301292
PubChem CID:	123071412
Reduced:	FSN5C22H26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	434.097953
ΔH_f, kcal/mol:	62.29
Dipole, Da:	10.1
IP(EA), eV:	-8.42(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations