Geometry & MOs

Info

ID:	169514
PubChem CID:	75114591
Reduced:	SN3O5H11C14 (1)
Stoich.:	AB3C5D11E14 (1)
Weight, g/mol:	958.533631
ΔH_f, kcal/mol:	-52.96
Dipole, Da:	1.08
IP(EA), eV:	-9.42(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)propyl (2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl) hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)NC2=NC(=CS2)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations