Geometry & MOs

Info

ID:	391625
PubChem CID:	135007296
Reduced:	NS2O4C7H13 (1)
Stoich.:	AB2C4D7E13 (1)
Weight, g/mol:	306.132337
ΔH_f, kcal/mol:	-186.43
Dipole, Da:	2.64
IP(EA), eV:	-9.68(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(S)-[1-(hydroxymethyl)cyclohexyl]sulfinyl]sulfanylcyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CSSCCO)C(=O)O

DOS

IR

Vibrations