Geometry & MOs

Info

ID:

215701

PubChem CID:

85085109

Reduced:

SSiN11O16C55H83 (1)

Stoich.:

ABC11D16E55F83 (1)

Weight, g/mol:

1218.618589

ΔHf, kcal/mol:

-712.78

Dipole, Da:

5.07

IP(EA), eV:

 -9.27(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[17-acetyl-8,14-dihydroxy-3-[5-[5-[4-hydroxy-5-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] 3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C1C(=O)OCC(C(=O)N2CCCCC2C(=O)NCC(=O)N(CC(=O)N(C(C(=O)OCC(C(=O)N3CCCCC3C(=O)NCC(=O)N(CC(=O)N1C)C)NS(=O)(=O)CC[Si](C)(C)C)C(C)C)C)C)NC(=O)C4=NC5=CC=CC=C5C=C4O

DOS

IR

Vibrations