Geometry & MOs

Info

ID:

66343

PubChem CID:

46504381

Reduced:

N2O3H16C17 (2)

Stoich.:

A2B3C16D17 (2)

Weight, g/mol:

560.20597

ΔHf, kcal/mol:

-59.7

Dipole, Da:

6.79

IP(EA), eV:

 -8.15(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[12-[4-(4-methoxyphenyl)piperazin-1-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]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)OC)OC)OC

DOS

IR

Vibrations