Geometry & MOs

Info

ID:

66351

PubChem CID:

46504413

Reduced:

N3O6C25H25 (1)

Stoich.:

A3B6C25D25 (1)

Weight, g/mol:

449.158685

ΔHf, kcal/mol:

-162.0

Dipole, Da:

3.95

IP(EA), eV:

 -8.11(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[12-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=CC(=C3C4=C(C5=CC=CC=C5C3=O)ON=C24)NCCC(=O)O

DOS

IR

Vibrations