Geometry & MOs

Info

ID:

219333

PubChem CID:

85098794

Reduced:

O2C27H46 (2)

Stoich.:

A2B27C46 (2)

Weight, g/mol:

806.352694

ΔHf, kcal/mol:

-251.59

Dipole, Da:

5.93

IP(EA), eV:

 -9.77(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[17-[5-[11-amino-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-5-yl]-5-oxopentanoyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC5(C4)OOC6(CCC7(C(C6)CCC8C7CCC9(C8CCC9C(C)CCCC(C)C)C)C)OO5)C)C

DOS

IR

Vibrations