Geometry & MOs

Info

ID:

220120

PubChem CID:

85165266

Reduced:

N6O6C35H54 (1)

Stoich.:

A6B6C35D54 (1)

Weight, g/mol:

654.434298

ΔHf, kcal/mol:

-298.81

Dipole, Da:

4.64

IP(EA), eV:

 -8.97(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[17-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-1,2-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)N(C)C(=O)C(CCC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)C(=O)N

DOS

IR

Vibrations