Geometry & MOs

Info

ID:

320568

PubChem CID:

126661767

Reduced:

O5C19H28 (1)

Stoich.:

A5B19C28 (1)

Weight, g/mol:

1488.617482

ΔHf, kcal/mol:

-210.18

Dipole, Da:

4.92

IP(EA), eV:

 -9.41(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2Z)-2-[(E)-3-(4-tert-butyl-3-oxa-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,8,13(17)-pentaen-6-yl)prop-2-enylidene]-3-methyl-3-[4-oxo-4-[2-[2-[2-[[2-[2-[2-[[(2R)-2-[[2-[2-[2-[5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]acetyl]amino]-3-sulfanylpropanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]ethylamino]butyl]-1-(3-sulfopropyl)indole-5-sulfonic acid

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(CC[C@]1(CC3[C@@H]4CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H]2O)C)O)O)C

DOS

IR

Vibrations