Geometry & MOs

Info

ID:

417587

PubChem CID:

135102152

Reduced:

N3O4C20H25 (1)

Stoich.:

A3B4C20D25 (1)

Weight, g/mol:

522.259068

ΔHf, kcal/mol:

-130.95

Dipole, Da:

1.32

IP(EA), eV:

 -9.06(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-20-(2,5-dimethylfuran-3-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=CC2=NC(=CC(=O)N2C=C1)CN3CC[C@H]([C@@](C3)(CC4CC4)C(=O)O)O

DOS

IR

Vibrations