Geometry & MOs

Info

ID:

326050

PubChem CID:

126686223

Reduced:

N3O7C21H23 (1)

Stoich.:

A3B7C21D23 (1)

Weight, g/mol:

425.158685

ΔHf, kcal/mol:

-242.39

Dipole, Da:

7.16

IP(EA), eV:

 -8.71(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

CC(CO)NCC1=CC2=CC3=C(C=C2N1C)OCCC4=C3NC(=O)C(=C4O)OC(=O)O

DOS

IR

Vibrations