Geometry & MOs

Info

ID:	338839
PubChem CID:	127259850
Reduced:	OSC21H26 (1)
Stoich.:	ABC21D26 (1)
Weight, g/mol:	410.227952
ΔH_f, kcal/mol:	-16.8
Dipole, Da:	3.38
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(2-benzoyldodecyl) benzenecarbothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)C(CC)COC(=S)C2=CC=CC=C2)CC

DOS

IR

Vibrations