Geometry & MOs

Info

ID:	86472
PubChem CID:	49885971
Reduced:	OSN2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	395.008445
ΔH_f, kcal/mol:	13.53
Dipole, Da:	6.0
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)CSC3=CC=CC=C3

DOS

IR

Vibrations