Geometry & MOs

Info

ID:	387743
PubChem CID:	134986682
Reduced:	N2Cl3C7H11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	234.074822
ΔH_f, kcal/mol:	-11.52
Dipole, Da:	1.37
IP(EA), eV:	-9.31(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R)-2-(1,3-dithiolan-2-yl)cyclopentyl]ethane-1,2-diol

Drug info:

PubChemData

Smile

CC(=N/N=C(/C)\CC(Cl)(Cl)Cl)C

DOS

IR

Vibrations