Geometry & MOs

Info

ID:

190381

PubChem CID:

77994313

Reduced:

N2O11C47H66 (1)

Stoich.:

A2B11C47D66 (1)

Weight, g/mol:

812.482311

ΔHf, kcal/mol:

-482.65

Dipole, Da:

2.57

IP(EA), eV:

 -8.05(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-5-(piperidine-1-carbonylamino)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)NCC8=CC=CC=C8)C)C)C)OC1

DOS

IR

Vibrations