Geometry & MOs

Info

ID:

417171

PubChem CID:

135091567

Reduced:

N2O2C21H26 (1)

Stoich.:

A2B2C21D26 (1)

Weight, g/mol:

586.242749

ΔHf, kcal/mol:

-57.39

Dipole, Da:

3.97

IP(EA), eV:

 -9.67(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-5,6-dimethoxy-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

CC(C)(CC(=O)N[C@H]1COC[C@H]1CC2=CC=NC=C2)C3=CC=CC=C3

DOS

IR

Vibrations