Geometry & MOs

Info

ID:	146618
PubChem CID:	53718877
Reduced:	SN5O7C16H17 (1)
Stoich.:	AB5C7D16E17 (1)
Weight, g/mol:	144.11503
ΔH_f, kcal/mol:	-196.14
Dipole, Da:	1.92
IP(EA), eV:	-9.12(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oct-6-ene-3,5-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)NS(=O)(=O)O)O)O

DOS

IR

Vibrations