Geometry & MOs

Info

ID:

47445

PubChem CID:

10532719

Reduced:

SO3N5C15H18 (2)

Stoich.:

AB3C5D15E18 (2)

Weight, g/mol:

697.462579

ΔHf, kcal/mol:

-105.22

Dipole, Da:

5.4

IP(EA), eV:

 -7.9(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R,9S,12S,15R)-3-[(2S)-butan-2-yl]-19-heptyl-9-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-6,15-bis(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

Drug info:

PubChemData

Smile

CCCCCC1=NC(=CO1)C2=C(C(=O)C=C(N2)/C=N/NC(=O)N)SSC3=C(NC(=CC3=O)/C=N/NC(=O)N)C4=COC(=N4)CCCCC

DOS

IR

Vibrations