Geometry & MOs

Info

ID:

447135

PubChem CID:

135280579

Reduced:

S2N5O5C36H43 (1)

Stoich.:

A2B5C5D36E43 (1)

Weight, g/mol:

653.394105

ΔHf, kcal/mol:

-148.02

Dipole, Da:

7.54

IP(EA), eV:

 -8.83(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpiperidin-3-yl)amino]-5-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]-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=CC5=C(S4)C=C(S5)C(=O)N(C)CCO

DOS

IR

Vibrations