Geometry & MOs

Info

ID:

307082

PubChem CID:

125267521

Reduced:

O4N5C13H21 (1)

Stoich.:

A4B5C13D21 (1)

Weight, g/mol:

588.329833

ΔHf, kcal/mol:

-146.47

Dipole, Da:

5.97

IP(EA), eV:

 -8.84(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5R,8S,9R,10S,13R,14S,17S)-3-[[(2R,3aS,4R,6S,7aS)-2-ethyl-2,4-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=O)C(=O)N[C@H]1C=NC(=O)NC1=O

DOS

IR

Vibrations