Geometry & MOs

Info

ID:	301360
PubChem CID:	123080531
Reduced:	ClSN4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	508.03354
ΔH_f, kcal/mol:	97.6
Dipole, Da:	6.26
IP(EA), eV:	-8.67(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-bromo-4,5-dimethoxyphenyl)-N-[3-[(3-chlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC=C(C=C2)CC)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations