Geometry & MOs

Info

ID:	403392
PubChem CID:	135060033
Reduced:	NO2S2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	142.09938
ΔH_f, kcal/mol:	-27.33
Dipole, Da:	5.63
IP(EA), eV:	-8.59(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4S)-3,5-dimethylhexa-2,5-diene-1,4-diol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CCN2C=CC=C2C3SCCS3

DOS

IR

Vibrations