Geometry & MOs

Info

ID:

326042

PubChem CID:

126686179

Reduced:

N3O6C19H19 (1)

Stoich.:

A3B6C19D19 (1)

Weight, g/mol:

411.143035

ΔHf, kcal/mol:

-188.02

Dipole, Da:

6.9

IP(EA), eV:

 -8.56(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-(azetidin-1-ylmethyl)-6-hydroxy-14-methyl-4-oxo-10-oxa-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

CNCC1=CC2=CC3=C(C=C2N1C)OCCC4=C3NC(=O)C(=C4O)OC(=O)O

DOS

IR

Vibrations