Geometry & MOs

Info

ID:

421258

PubChem CID:

135115656

Reduced:

N6O7C35H40 (1)

Stoich.:

A6B7C35D40 (1)

Weight, g/mol:

400.222289

ΔHf, kcal/mol:

-156.57

Dipole, Da:

7.99

IP(EA), eV:

 -8.89(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-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=C(O1)C=CC(=C2)C(=O)N3C[C@@H]4C[C@H]3C(=O)NCCCCN(CCCNC(=O)C5=CC(=C(C=C5)OC)O4)C(=O)C6=CN=CN6C

DOS

IR

Vibrations