Geometry & MOs

Info

ID:

16108

PubChem CID:

459934

Reduced:

BrO3N7H22C25 (1)

Stoich.:

AB3C7D22E25 (1)

Weight, g/mol:

547.09675

ΔHf, kcal/mol:

10.17

Dipole, Da:

7.11

IP(EA), eV:

 -8.29(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2C[C@@](C(=O)C3C2C(=CN3)C4=CN=C(C(=O)N4)C5=CNC6=C5C=CC(=C6)Br)(C7=C1NC(=N7)N)O

DOS

IR

Vibrations