Geometry & MOs

Info

ID:

48769

PubChem CID:

11528312

Reduced:

NO2C17H25 (6)

Stoich.:

AB2C17D25 (6)

Weight, g/mol:

1668.017199

ΔHf, kcal/mol:

-481.06

Dipole, Da:

12.25

IP(EA), eV:

 -7.84(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=C(C=C2C(=C1)NC=C3C=CC(=CNC4=CC(=C(C=C4NC=C5C=CC(=CNC6=CC(=C(C=C6NC=C7C=CC(=CN2)C(=O)C7=O)OCCCCCCCCCC)OCCCCCCCCCC)C(=O)C5=O)OCCCCCCCCCC)OCCCCCCCCCC)C(=O)C3=O)OCCCCCCCCCC

DOS

IR

Vibrations