Geometry & MOs

Info

ID:

382382

PubChem CID:

134973509

Reduced:

NO4C20H31 (1)

Stoich.:

AB4C20D31 (1)

Weight, g/mol:

546.08893

ΔHf, kcal/mol:

-189.59

Dipole, Da:

3.74

IP(EA), eV:

 -9.12(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(1R,7R,8R)-4-amino-10-[5-(6-bromo-1H-indol-3-yl)-6-oxo-1H-pyrazin-2-yl]-1-hydroxy-7-methyl-5,12-diaza-3-azoniatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraen-14-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CN(CC1[C@@H](CO)OC(C)(C)C)CC2=CC=CC=C2

DOS

IR

Vibrations