Geometry & MOs

Info

ID:	301570
PubChem CID:	123086332
Reduced:	OSCl2N4H24C26 (1)
Stoich.:	ABC2D4E24F26 (1)
Weight, g/mol:	500.224597
ΔH_f, kcal/mol:	91.09
Dipole, Da:	2.54
IP(EA), eV:	-9.25(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-benzyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3,4-diethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2NC=C3C=C(C(=O)C(=C3)Cl)Cl)CCC4=CC=CC=C4

DOS

IR

Vibrations