Geometry & MOs

Info

ID:

184243

PubChem CID:

77132412

Reduced:

ClN5O5H14C16 (1)

Stoich.:

AB5C5D14E16 (1)

Weight, g/mol:

529.400533

ΔHf, kcal/mol:

-184.45

Dipole, Da:

3.29

IP(EA), eV:

 -9.38(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-1,2,3,4,5,6,7,8,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-9-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2C(=O)C(=CNC3CNC(=O)NC3=O)C(=O)NC2=O

DOS

IR

Vibrations