Geometry & MOs

Info

ID:

314050

PubChem CID:

126620098

Reduced:

SN4O10C36H56 (1)

Stoich.:

AB4C10D36E56 (1)

Weight, g/mol:

1059.411345

ΔHf, kcal/mol:

-411.47

Dipole, Da:

5.79

IP(EA), eV:

 -8.91(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-N-[(E)-4-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-(methanethioylamino)hex-3-en-2-yl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C

DOS

IR

Vibrations