Geometry & MOs

Info

ID:	86467
PubChem CID:	49885953
Reduced:	ClSO3N4H27C28 (1)
Stoich.:	ABC3D4E27F28 (1)
Weight, g/mol:	377.10204
ΔH_f, kcal/mol:	-18.24
Dipole, Da:	6.67
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(naphthalen-1-ylmethylsulfanyl)-5-(phenylsulfanylmethyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C=CC(=C1)Cl)C)SC2=NN=C(N2C3=CC=CC=C3)C4C(OC5=CC=CC=C5O4)C

DOS

IR

Vibrations