Geometry & MOs

Info

ID:	338841
PubChem CID:	127259852
Reduced:	OSC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	284.123486
ΔH_f, kcal/mol:	-8.59
Dipole, Da:	1.11
IP(EA), eV:	-9.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(4-pentylphenyl) benzenecarbothioate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)SC(=O)C2=CC=CC=C2

DOS

IR

Vibrations