Geometry & MOs

Info

ID:	18239
PubChem CID:	539038
Reduced:	OSC10H20 (1)
Stoich.:	ABC10D20 (1)
Weight, g/mol:	188.123486
ΔH_f, kcal/mol:	-88.61
Dipole, Da:	1.25
IP(EA), eV:	-9.32(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-octan-3-yl ethanethioate

Drug info:

PubChemData

Smile

CCCCCC(CC)SC(=O)C

DOS

IR

Vibrations