Geometry & MOs

Info

ID:

221765

PubChem CID:

85286120

Reduced:

SiN2O7C34H44 (1)

Stoich.:

AB2C7D34E44 (1)

Weight, g/mol:

618.413169

ΔHf, kcal/mol:

-263.8

Dipole, Da:

6.2

IP(EA), eV:

 -9.38(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-hydroxy-4,4,10,13,14-pentamethyl-7-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)C#CC1(C(C(C(O1)N2CC(C(=O)NC2=O)C)OC(=O)C)OCC3=CC=CC=C3)COCC4=CC=CC=C4

DOS

IR

Vibrations