Geometry & MOs

Info

ID:	338840
PubChem CID:	127259851
Reduced:	SO2C26H34 (1)
Stoich.:	AB2C26D34 (1)
Weight, g/mol:	270.107836
ΔH_f, kcal/mol:	-59.53
Dipole, Da:	4.61
IP(EA), eV:	-9.09(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(4-butylphenyl) benzenecarbothioate

Drug info:

PubChemData

Smile

CCCCCCCCCCC(COC(=S)C1=CC=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations