Geometry & MOs

Info

ID:	301497
PubChem CID:	123082837
Reduced:	SCl2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	510.104788
ΔH_f, kcal/mol:	91.65
Dipole, Da:	6.31
IP(EA), eV:	-8.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(2-phenylethyl)-1,2,4-triazol-4-yl]-1-(2-ethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC=C(C=C2)CC)SCC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations