Geometry & MOs

Info

ID:	318167
PubChem CID:	126649334
Reduced:	SN3O7C26H29 (1)
Stoich.:	AB3C7D26E29 (1)
Weight, g/mol:	332.110732
ΔH_f, kcal/mol:	-155.67
Dipole, Da:	8.29
IP(EA), eV:	-8.73(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5,6-pentahydroxyhexyl 4-hydroxy-3-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@](CCN1C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)CN4CCOCC4)OC1=O)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations