Geometry & MOs

Info

ID:

59469

PubChem CID:

24875013

Reduced:

FO2N7C27H28 (1)

Stoich.:

AB2C7D27E28 (1)

Weight, g/mol:

579.180107

ΔHf, kcal/mol:

23.52

Dipole, Da:

5.26

IP(EA), eV:

 -8.84(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[3-(1,3-benzothiazol-2-yl)pyridin-2-yl]piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](C1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C(=O)C4=CNC5=C4C(=CN=C5N6C=CN=N6)F

DOS

IR

Vibrations