Geometry & MOs

Info

ID:

221633

PubChem CID:

85285791

Reduced:

SN2O8C28H44 (1)

Stoich.:

AB2C8D28E44 (1)

Weight, g/mol:

568.394787

ΔHf, kcal/mol:

-409.97

Dipole, Da:

4.94

IP(EA), eV:

 -8.71(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-methyl-3-(2-methyloctan-2-yl)-1-prop-2-enoxy-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-9-ol

Drug info:

PubChemData

Smile

CC(C(CSCCC(=O)NCC1=CC=C(C=C1)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations