Geometry & MOs

Info

ID:

215166

PubChem CID:

85084296

Reduced:

SN5O6C40H55 (1)

Stoich.:

AB5C6D40E55 (1)

Weight, g/mol:

734.387742

ΔHf, kcal/mol:

-239.16

Dipole, Da:

1.71

IP(EA), eV:

 -8.97(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[10,13-dimethyl-6-oxo-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNC(C)C(=O)NC3CCCCC3)O)N(C4=CC=CC=C4)S(=O)(=O)C

DOS

IR

Vibrations