Geometry & MOs

Info

ID:	301482
PubChem CID:	123081548
Reduced:	SCl3N4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	509.069131
ΔH_f, kcal/mol:	102.01
Dipole, Da:	5.97
IP(EA), eV:	-8.9(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations