Geometry & MOs

Info

ID:	148145
PubChem CID:	53787807
Reduced:	BrSO7C27H35 (1)
Stoich.:	ABC7D27E35 (1)
Weight, g/mol:	144.11503
ΔH_f, kcal/mol:	-276.54
Dipole, Da:	6.17
IP(EA), eV:	-8.61(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oct-2-ene-1,7-diol

Drug info:

PubChemData

Smile

CC(=O)OC(CCC1[C@H](O1)C[C@@H]2[C@H](CCC2=C)CCCCSC3=CC=C(C=C3)Br)(C(=O)O)OC(=O)C

DOS

IR

Vibrations