Geometry & MOs

Info

ID:

326044

PubChem CID:

126686189

Reduced:

N3O5C22H25 (1)

Stoich.:

A3B5C22D25 (1)

Weight, g/mol:

423.179421

ΔHf, kcal/mol:

-175.87

Dipole, Da:

12.23

IP(EA), eV:

 -8.6(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-[(cyclobutylamino)methyl]-6-hydroxy-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)N3CCC4(C3)CCNC4)C5=C(C1)C(=C(C(=O)N5)OC(=O)O)O

DOS

IR

Vibrations