Geometry & MOs

Info

ID:	31097
PubChem CID:	854500
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	164.032957
ΔH_f, kcal/mol:	-115.59
Dipole, Da:	2.21
IP(EA), eV:	-9.52(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dithiocan-3-ol

Drug info:

PubChemData

Smile

CC1=CC[C@@H](C[C@@H]1O)C(C)(C)O

DOS

IR

Vibrations