Geometry & MOs

Info

ID:	204922
PubChem CID:	80032573
Reduced:	SC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	259.081305
ΔH_f, kcal/mol:	-9.01
Dipole, Da:	2.35
IP(EA), eV:	-8.44(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]oxan-4-yl]methanethiol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SCC2(CCCCCC2)CS

DOS

IR

Vibrations