Geometry & MOs

Info

ID:

16237

PubChem CID:

462487

Reduced:

N8O11C60H92 (1)

Stoich.:

A8B11C60D92 (1)

Weight, g/mol:

1100.688556

ΔHf, kcal/mol:

-535.62

Dipole, Da:

4.67

IP(EA), eV:

 -9.25(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,12S,15S,18S,21S,24S)-3,6-dibenzyl-12,24-di(butan-2-yl)-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18-(2-methylpropyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone

Drug info:

PubChemData

Smile

CCC(C)[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(C)CC)C(C)(C)O)C)CC(C)C)C(C)C)C

DOS

IR

Vibrations