Geometry & MOs

Info

ID:

151400

PubChem CID:

53801195

Reduced:

N5O5H21C23 (1)

Stoich.:

A5B5C21D23 (1)

Weight, g/mol:

615.31558

ΔHf, kcal/mol:

-72.98

Dipole, Da:

5.92

IP(EA), eV:

 -9.56(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-5-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxolan-2-yl]methyl-diazonioazanide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC(COC2=NC3=NC=NC=C3N2)(COC(=O)C4=CC=CC=C4)N

DOS

IR

Vibrations