Geometry & MOs

Info

ID:

447112

PubChem CID:

135280371

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

625.362805

ΔHf, kcal/mol:

-165.38

Dipole, Da:

5.41

IP(EA), eV:

 -8.71(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]-2-methyl-3-[(1-prop-2-enoylpiperidin-3-yl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(C(=CC(=C2)C3=CC(=C(C=C3)CN4CCOCC4)F)NC5CCN(C5)C(=O)C=C)C)C

DOS

IR

Vibrations