Geometry & MOs

Info

ID:	433993
PubChem CID:	135174143
Reduced:	OSC13H22 (1)
Stoich.:	ABC13D22 (1)
Weight, g/mol:	174.107836
ΔH_f, kcal/mol:	-53.61
Dipole, Da:	5.28
IP(EA), eV:	-8.69(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pentylthiolan-2-ol

Drug info:

PubChemData

Smile

CC(C)C(C)CC1C[C@H]2CC(=O)C2SC1

DOS

IR

Vibrations