Geometry & MOs

Info

ID:

447131

PubChem CID:

135280545

Reduced:

F2O3N5C38H47 (1)

Stoich.:

A2B3C5D38E47 (1)

Weight, g/mol:

687.355133

ΔHf, kcal/mol:

-203.33

Dipole, Da:

7.44

IP(EA), eV:

 -8.68(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-chloro-4-[(4-methoxypiperidin-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

CCN(C1CCN(CC1)C(=O)C=C)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCC(CC5)(F)F

DOS

IR

Vibrations