Geometry & MOs

Info

ID:

297640

PubChem CID:

117624568

Reduced:

SF4O8C13H14 (1)

Stoich.:

AB4C8D13E14 (1)

Weight, g/mol:

1851.92428

ΔHf, kcal/mol:

-530.66

Dipole, Da:

6.87

IP(EA), eV:

 -10.63(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,15R,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S)-N-(2-amino-2-oxoethyl)-9-benzyl-21,24-dibutyl-18-(3-carbamimidamidopropyl)-30,36-bis(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25-tetramethyl-39-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-3-(2-oxoethyl)-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecazabicyclo[43.3.0]octatetracontane-15-carboxamide

Drug info:

PubChemData

Smile

C1C2C3COC(=O)C3C(C1OC(=O)CCC(C(F)(F)S(=O)(=O)O)(F)F)O2

DOS

IR

Vibrations