Geometry & MOs

Info

ID:	247811
PubChem CID:	103073616
Reduced:	OSC16H16 (1)
Stoich.:	ABC16D16 (1)
Weight, g/mol:	202.034689
ΔH_f, kcal/mol:	19.94
Dipole, Da:	1.77
IP(EA), eV:	-8.67(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methyltetrazol-5-yl)sulfanylmethyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

C=C(COC1=CC=C(C=C1)C2=CC=CC=C2)CS

DOS

IR

Vibrations