Geometry & MOs

Info

ID:

215622

PubChem CID:

85084996

Reduced:

N6O9C66H76 (1)

Stoich.:

A6B9C66D76 (1)

Weight, g/mol:

1097.70007

ΔHf, kcal/mol:

-294.97

Dipole, Da:

7.72

IP(EA), eV:

 -8.79(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,9-dibromo-N-[2-[3,5-dibromo-4-[3-[(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]-2-hydroxypropoxy]phenyl]ethyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCCCC1C(=O)N2CCCCC2C(=O)N(CC=C)C(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)OCC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79

DOS

IR

Vibrations