Geometry & MOs

Info

ID:	301639
PubChem CID:	123089798
Reduced:	SCl3N5H16C24 (1)
Stoich.:	AB3C5D16E24 (1)
Weight, g/mol:	509.069131
ΔH_f, kcal/mol:	172.26
Dipole, Da:	9.69
IP(EA), eV:	-9.12(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(N2/N=C\C3=C(C=CC(=C3Cl)Cl)Cl)SCC4=CC=C(C=C4)C#N

DOS

IR

Vibrations