Geometry & MOs

Info

ID:	402781
PubChem CID:	135057230
Reduced:	NOSC12H25 (1)
Stoich.:	ABCD12E25 (1)
Weight, g/mol:	240.091708
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	2.83
IP(EA), eV:	-8.06(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,1S,6R)-1-(4-chlorophenyl)hept-3-ene-1,6-diol

Drug info:

PubChemData

Smile

CCCC/C(=N\[S@@](=O)C(C)(C)C)/C(C)C

DOS

IR

Vibrations