Geometry & MOs

Info

ID:

124855

PubChem CID:

50899987

Reduced:

N3O8H23C26 (1)

Stoich.:

A3B8C23D26 (1)

Weight, g/mol:

553.148515

ΔHf, kcal/mol:

-227.7

Dipole, Da:

3.82

IP(EA), eV:

 -9.28(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9R,11R,14R,16S)-1',8-diacetyl-13-(4-methoxyphenyl)spiro[10,15,17,18-tetraoxa-8,12-diazapentacyclo[7.6.2.111,14.01,9.02,7]octadeca-2,4,6,12-tetraene-16,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CCO[C@]12C=N[C@](O1)(O[C@]34[C@](O2)(C5=CC=CC=C5N3C(=O)C)[C@@]6(O4)C7=CC=CC=C7N(C6=O)C(=O)C)C

DOS

IR

Vibrations