Geometry & MOs

Info

ID:

214895

PubChem CID:

85083811

Reduced:

N3O6C38H41 (1)

Stoich.:

A3B6C38D41 (1)

Weight, g/mol:

635.366947

ΔHf, kcal/mol:

-174.07

Dipole, Da:

4.58

IP(EA), eV:

 -9.14(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[17-(1-acetamidoethyl)-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-7-acetyloxy-5-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-yl] acetate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations