Geometry & MOs

Info

ID:

420961

PubChem CID:

135115126

Reduced:

OSN4C21H22 (1)

Stoich.:

ABC4D21E22 (1)

Weight, g/mol:

573.2475

ΔHf, kcal/mol:

58.97

Dipole, Da:

4.74

IP(EA), eV:

 -9.04(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,6-dimethoxy-14-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-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

C1COC2(CCN(CC2)CC3=CN=C(N=C3)C4=CC=CC=N4)C5=C1SC=C5

DOS

IR

Vibrations