Geometry & MOs

Info

ID:

326004

PubChem CID:

126685988

Reduced:

N3O5C28H37 (1)

Stoich.:

A3B5C28D37 (1)

Weight, g/mol:

461.135363

ΔHf, kcal/mol:

-200.46

Dipole, Da:

8.55

IP(EA), eV:

 -8.64(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-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;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCCNCC1=CC2=CC3=C(CCCC4=C3NC(=O)C(=C4O)OC(=O)O)C=C2N1C

DOS

IR

Vibrations