Geometry & MOs

Info

ID:

222156

PubChem CID:

85294773

Reduced:

NO6C34H47 (2)

Stoich.:

AB6C34D47 (2)

Weight, g/mol:

1338.842776

ΔHf, kcal/mol:

-436.49

Dipole, Da:

8.96

IP(EA), eV:

 -6.69(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoyloxy]-2,3-bis[[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxy]butyl] 2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoate

Drug info:

PubChemData

Smile

CC1CCC(=O)NCC2=CC(=CC=C2)CNC(=O)CCC(C3CCC4C3(C(CC5C4CCC6C5(CCC(C6)OC(=O)COC(=O)C7=CC=C(C=C7)C(=O)OCC(=O)OC8CCC9(C(C8)CCC2C9CC(C3(C1CCC23)C)O)C)C)O)C)C

DOS

IR

Vibrations