Geometry & MOs

Info

ID:

296729

PubChem CID:

117590614

Reduced:

N2O3C30H42 (1)

Stoich.:

A2B3C30D42 (1)

Weight, g/mol:

1200.696052

ΔHf, kcal/mol:

-103.24

Dipole, Da:

4.27

IP(EA), eV:

 -8.42(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-butan-2-yl-21',24'-dihydroxy-12'-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) propanoate

Drug info:

PubChemData

Smile

CCCCC1=C(C2=C(O1)C=CC(=C2)N)C(=O)C3=CC(=CC=C3)OCCCN(CCCC)CCCC

DOS

IR

Vibrations