Geometry & MOs

Info

ID:

124959

PubChem CID:

50905267

Reduced:

O3N7C34H45 (1)

Stoich.:

A3B7C34D45 (1)

Weight, g/mol:

1371.91051

ΔHf, kcal/mol:

-91.16

Dipole, Da:

4.26

IP(EA), eV:

 -7.82(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6S,9S,12S,15S,18R,21S,24S,27S,30S,33R)-3-ethyl-30-(hydroxymethyl)-6-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-7,10,13,16,18,21,25,31-octamethyl-12,15,24-tris(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-9,27-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-35-yl] 4-propan-2-ylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(C[C@H]1O)C2CCN(CC2)C3=CN=C(C=C3)N4CCN(C5=CC=CC=C54)C(=O)NC6C7CC8CC6CC(C8)(C7)C(=O)N

DOS

IR

Vibrations