Geometry & MOs

Info

ID:

421397

PubChem CID:

135115915

Reduced:

ClN3O3C16H22 (1)

Stoich.:

AB3C3D16E22 (1)

Weight, g/mol:

568.312166

ΔHf, kcal/mol:

-80.82

Dipole, Da:

4.01

IP(EA), eV:

 -8.67(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(14R)-8,14-dimethyl-12,15-dioxo-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaen-20-yl]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CC(=C(C(=C2)Cl)OC)OC

DOS

IR

Vibrations