Geometry & MOs

Info

ID:

215499

PubChem CID:

85084826

Reduced:

SN3O17C46H69 (1)

Stoich.:

AB3C17D46E69 (1)

Weight, g/mol:

965.687553

ΔHf, kcal/mol:

-792.29

Dipole, Da:

10.3

IP(EA), eV:

 -9.15(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[5-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-(pentylamino)oxan-2-yl]oxy-6-hydroxy-3,5-bis(pentylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-(pentylamino)-2-[(pentylamino)methyl]oxane-3,4-diol

Drug info:

PubChemData

Smile

CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.C1C(NC(=S)NC1=O)N

DOS

IR

Vibrations