Geometry & MOs

Info

ID:	338858
PubChem CID:	127259869
Reduced:	OSC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	264.154787
ΔH_f, kcal/mol:	-27.92
Dipole, Da:	3.08
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-octan-2-yl 2-phenylethanethioate

Drug info:

PubChemData

Smile

CCC(C)OC(=S)CC1=CC=CC=C1

DOS

IR

Vibrations