Geometry & MOs

Info

ID:

326016

PubChem CID:

126686057

Reduced:

Cl2N4O5C25H32 (1)

Stoich.:

A2B4C5D25E32 (1)

Weight, g/mol:

423.179421

ΔHf, kcal/mol:

-235.43

Dipole, Da:

9.02

IP(EA), eV:

 -8.64(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-14-methyl-15-[[(1-methylcyclopropyl)amino]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

CN1CCC(CC1)NCC2=CC3=CC4=C(CCCC5=C4NC(=O)C(=C5O)OC(=O)O)C=C3N2C.Cl.Cl

DOS

IR

Vibrations