Geometry & MOs

Info

ID:

66341

PubChem CID:

46504367

Reduced:

N4O5H28C33 (1)

Stoich.:

A4B5C28D33 (1)

Weight, g/mol:

557.2162

ΔHf, kcal/mol:

-15.88

Dipole, Da:

6.3

IP(EA), eV:

 -8.05(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[8-oxo-10-(3,4,5-trimethoxyanilino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-12-yl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C3=CC(=C4C5=C(C6=CC=CC=C6C4=O)ON=C35)NC7=CC8=C(C=C7)OCCO8

DOS

IR

Vibrations