Geometry & MOs

Info

ID:

447075

PubChem CID:

135280077

Reduced:

SN4O7C35H46 (1)

Stoich.:

AB4C7D35E46 (1)

Weight, g/mol:

609.331505

ΔHf, kcal/mol:

-300.05

Dipole, Da:

6.12

IP(EA), eV:

 -8.94(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCN(C1)C(=O)OC(C)(C)C)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)COS(=O)(=O)C

DOS

IR

Vibrations