Geometry & MOs

Info

ID:

397261

PubChem CID:

135029968

Reduced:

Si2N3O12C54H103 (1)

Stoich.:

A2B3C12D54E103 (1)

Weight, g/mol:

624.409815

ΔHf, kcal/mol:

-774.07

Dipole, Da:

2.08

IP(EA), eV:

 -9.01(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-hydroxy-2-[(3S,9E,11R,14S,15S)-11-(hydroxymethyl)-7,14-dimethyl-15-[(2R)-14-methylpentadecan-2-yl]-2,5,8,13-tetraoxo-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl]acetamide

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@@H]([C@@H](C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCC(C)C)[C@H](C)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)/C=C/C(=O)N(C)CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC

DOS

IR

Vibrations