Geometry & MOs

Info

ID:	301651
PubChem CID:	123090135
Reduced:	SCl2O2N4H16C19 (1)
Stoich.:	AB2C2D4E16F19 (1)
Weight, g/mol:	508.110267
ΔH_f, kcal/mol:	29.18
Dipole, Da:	6.94
IP(EA), eV:	-8.9(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC=CC=C2C(=O)O)SCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations