Geometry & MOs

Info

ID:

326051

PubChem CID:

126686225

Reduced:

N3O6C22H23 (1)

Stoich.:

A3B6C22D23 (1)

Weight, g/mol:

453.189986

ΔHf, kcal/mol:

-175.51

Dipole, Da:

7.14

IP(EA), eV:

 -8.48(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-15-[(3-methoxypyrrolidin-1-yl)methyl]-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

CC1(CC1)NCC2=CC3=CC4=C(C=C3N2C)OCCC5=C4NC(=O)C(=C5O)OC(=O)O

DOS

IR

Vibrations