Geometry & MOs

Info

ID:

66344

PubChem CID:

46504383

Reduced:

N4O5H28C33 (1)

Stoich.:

A4B5C28D33 (1)

Weight, g/mol:

648.2584

ΔHf, kcal/mol:

-31.05

Dipole, Da:

3.9

IP(EA), eV:

 -8.32(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[[8-oxo-12-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=C4C5=C(C6=CC=CC=C6C4=O)ON=C35)NC7=CC=C(C=C7)C(=O)OC

DOS

IR

Vibrations