Geometry & MOs

Info

ID:

447130

PubChem CID:

135280539

Reduced:

O2N3H23C25 (1)

Stoich.:

A2B3C23D25 (1)

Weight, g/mol:

659.364697

ΔHf, kcal/mol:

14.67

Dipole, Da:

4.6

IP(EA), eV:

 -8.62(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC(=O)N1CCC(CC1)N2C=NC3=C2C=CC(=C3)C4=CC(=CC5=CC=CC=C54)O

DOS

IR

Vibrations