Geometry & MOs

Info

ID:

227914

PubChem CID:

87562985

Reduced:

O3C22H41 (2)

Stoich.:

A3B22C41 (2)

Weight, g/mol:

1196.384901

ΔHf, kcal/mol:

-446.78

Dipole, Da:

4.32

IP(EA), eV:

 -10.76(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione;(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations