Geometry & MOs

Info

ID:	206374
PubChem CID:	80240957
Reduced:	S2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	253.07074
ΔH_f, kcal/mol:	48.53
Dipole, Da:	4.59
IP(EA), eV:	-8.51(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methylthiophen-3-yl)methyl]-3-propan-2-yl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CCCC1=NNC(=S)N1CC2=C(C=CS2)C

DOS

IR

Vibrations