Geometry & MOs

Info

ID:

448477

PubChem CID:

135291267

Reduced:

N11O12C66H113 (1)

Stoich.:

A11B12C66D113 (1)

Weight, g/mol:

1201.841368

ΔHf, kcal/mol:

-635.1

Dipole, Da:

17.04

IP(EA), eV:

 -8.98(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12R,18S,21S,24S,30S,33S)-24-butyl-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,18,19,25,28-nonamethyl-6,9,15-tris(2-methylpropyl)-3,21-di(propan-2-yl)-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

CC[C@H](C(=O)N(C)CC(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)C([C@H]([C@H](C)C/C=C\C)O)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C)C(C)C

DOS

IR

Vibrations