Geometry & MOs

Info

ID:

310161

PubChem CID:

126575934

Reduced:

N6O7C34H61 (2)

Stoich.:

A6B7C34D61 (2)

Weight, g/mol:

1318.920347

ΔHf, kcal/mol:

-627.76

Dipole, Da:

16.49

IP(EA), eV:

 -7.45(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-30-ethyl-24-[(2S)-1-[[(2S)-4-ethylmorpholin-2-yl]methoxy]propan-2-yl]-33-[(1R,2R)-1-hydroxy-2-methylbutyl]-1,4,7,10,12,15,19,25,27,28-decamethyl-6,9,18-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]1C(=O)N([C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)[C@@H](C)CN2CCOC(C2)COC)C)C)C

DOS

IR

Vibrations