Geometry & MOs

Info

ID:

215149

PubChem CID:

85084270

Reduced:

O2N4C21H24 (2)

Stoich.:

A2B4C21D24 (2)

Weight, g/mol:

728.461182

ΔHf, kcal/mol:

-58.59

Dipole, Da:

5.37

IP(EA), eV:

 -8.39(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC(C3=CC=CC=C3)NC(=O)CCC4=NN=NN4CC5=CC=CC=C5)NC(=O)OC6C7CC8CC(C7)CC6C8

DOS

IR

Vibrations