Geometry & MOs

Info

ID:

296781

PubChem CID:

117592413

Reduced:

NSCl2O4H29C33 (1)

Stoich.:

ABC2D4E29F33 (1)

Weight, g/mol:

1724.866149

ΔHf, kcal/mol:

-100.43

Dipole, Da:

4.83

IP(EA), eV:

 -8.31(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 10-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 3-methylbutanoate

Drug info:

PubChemData

Smile

CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O.Cl

DOS

IR

Vibrations