Geometry & MOs

Info

ID:

66337

PubChem CID:

46504359

Reduced:

ClSO3N5C29H38 (1)

Stoich.:

ABC3D5E29F38 (1)

Weight, g/mol:

557.2162

ΔHf, kcal/mol:

-80.58

Dipole, Da:

4.3

IP(EA), eV:

 -8.53(-0.85)

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-4-carboxylate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)CC)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations