Geometry & MOs

Info

ID:

421501

PubChem CID:

135116128

Reduced:

OSN3C20H21 (1)

Stoich.:

ABC3D20E21 (1)

Weight, g/mol:

539.20478

ΔHf, kcal/mol:

41.26

Dipole, Da:

3.38

IP(EA), eV:

 -8.66(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-20-(3-chloropyridine-4-carbonyl)-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

CC1=NN=C(C2=CC=CC=C12)N3CCC4(CC3)C5=C(CCO4)SC=C5

DOS

IR

Vibrations