Geometry & MOs

Info

ID:

423600

PubChem CID:

135119806

Reduced:

N4O5C27H28 (1)

Stoich.:

A4B5C27D28 (1)

Weight, g/mol:

524.252252

ΔHf, kcal/mol:

-106.71

Dipole, Da:

0.97

IP(EA), eV:

 -8.85(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,6-dimethoxy-14-(oxane-4-carbonyl)-17,20-dioxa-11,14-diazatetracyclo[19.2.2.02,11.03,8]pentacosa-1(23),3,5,7,21,24-hexaen-12-one

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)CC5=CC=CC=N5

DOS

IR

Vibrations