Geometry & MOs

Info

ID:	301504
PubChem CID:	123083201
Reduced:	SCl2O3N4H22C25 (1)
Stoich.:	AB2C3D4E22F25 (1)
Weight, g/mol:	482.073488
ΔH_f, kcal/mol:	40.03
Dipole, Da:	3.95
IP(EA), eV:	-8.55(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CNN2C(=NN=C2SCC3=C(C=CC=C3Cl)Cl)CC4=CC=CC=C4)C=C(C1=O)OC

DOS

IR

Vibrations