Geometry & MOs

Info

ID:

430013

PubChem CID:

135170070

Reduced:

O3C17H26 (1)

Stoich.:

A3B17C26 (1)

Weight, g/mol:

853.424856

ΔHf, kcal/mol:

-162.37

Dipole, Da:

2.44

IP(EA), eV:

 -8.55(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-(dihydroxymethyl)cyclopentadecyl]-N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]propanamide

Drug info:

PubChemData

Smile

CCC(CC(C)C)C(=O)OC1=C(C(=C(C(=C1)C)O)C)C

DOS

IR

Vibrations