Geometry & MOs

Info

ID:

296860

PubChem CID:

117597377

Reduced:

SN3O8C33H43 (1)

Stoich.:

AB3C8D33E43 (1)

Weight, g/mol:

1488.692542

ΔHf, kcal/mol:

-303.64

Dipole, Da:

9.99

IP(EA), eV:

 -7.94(-0.46)

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;7-hydroxy-8-methoxy-3-(4-methoxyphenyl)chromen-4-one

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)N.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations