Geometry & MOs

Info

ID:

296999

PubChem CID:

117605373

Reduced:

O2N3C14H16 (2)

Stoich.:

A2B3C14D16 (2)

Weight, g/mol:

1072.601078

ΔHf, kcal/mol:

-119.42

Dipole, Da:

8.8

IP(EA), eV:

 -8.36(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[4-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-yl-2,3-dihydroindol-6-yl]pyridin-2-yl]piperazine-1-carboxylic acid;N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-ylpyridin-3-yl)-1-propan-2-yl-2,3-dihydroindole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3CCN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C(=O)O)C)C

DOS

IR

Vibrations