Geometry & MOs

Info

ID:

328550

PubChem CID:

126724447

Reduced:

NO5C26H33 (1)

Stoich.:

AB5C26D33 (1)

Weight, g/mol:

1159.758032

ΔHf, kcal/mol:

-223.02

Dipole, Da:

5.18

IP(EA), eV:

-9.32(-0.46)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3R,6S,9S,21S,24S,30S,33S)-21-ethyl-24-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,3,6,16-tetramethyl-9,30,33-tris(2-methylpropyl)-12,27-di(propan-2-yl)-15-[(1R)-1-prop-2-enoxyethyl]-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Drug info:

PubChemData

Smile

CCCC[C@@H](CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C[C@@H](C)C(=O)O

DOS

IR

Vibrations