Geometry & MOs

Info

ID:	86477
PubChem CID:	49886011
Reduced:	S2O3N4C21H22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	395.008445
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	11.38
IP(EA), eV:	-9.11(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NN=C(N2C)CSC3=CC=CC=C3

DOS

IR

Vibrations