Geometry & MOs

Info

ID:	397903
PubChem CID:	135030936
Reduced:	SO4C11H12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	143.094629
ΔH_f, kcal/mol:	-106.66
Dipole, Da:	4.25
IP(EA), eV:	-8.9(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,5Z)-1,2,3,4,7,8-hexahydroazocine-3,4-diol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CS2)C(=O)C1(OC)OC

DOS

IR

Vibrations