Geometry & MOs

Info

ID:

215152

PubChem CID:

85084274

Reduced:

PN3O9C39H44 (1)

Stoich.:

AB3C9D39E44 (1)

Weight, g/mol:

729.456431

ΔHf, kcal/mol:

-371.84

Dipole, Da:

6.11

IP(EA), eV:

 -9.18(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-1,5,7,9,11,13-hexamethyl-15-methylidene-9-[2-(pyridin-2-ylmethylamino)ethoxy]-3,17-dioxabicyclo[12.3.0]heptadecane-4,6,12-trione

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=CC=C1)P(=O)(O)OC(CC2=CC=CC=C2)C(=O)OCCCC3=CC=CC=C3)NC(=O)CNC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations