Geometry & MOs

Info

ID:

219204

PubChem CID:

85091569

Reduced:

O6N7C41H61 (1)

Stoich.:

A6B7C41D61 (1)

Weight, g/mol:

500.434179

ΔHf, kcal/mol:

-307.14

Dipole, Da:

9.71

IP(EA), eV:

 -9.37(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

[17-(1-acetyloxyethyl)-10,13-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]methyl-trimethylazanium

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)N3CCCCC3

DOS

IR

Vibrations