Geometry & MOs

Info

ID:

447099

PubChem CID:

135280292

Reduced:

N2O4C25H36 (2)

Stoich.:

A2B4C25D36 (2)

Weight, g/mol:

625.362805

ΔHf, kcal/mol:

-389.86

Dipole, Da:

5.72

IP(EA), eV:

 -9.32(-0.77)

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-4-yl)amino]-2-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1[C@H](CC[C@]2(C1CC[C@@]3(C2CC[C@H]4[C@]3(CC[C@@]5(C4=C(C(=O)C5)C(C)C)NC(=O)C(C)(C)NC(=O)C6=C(N=CC=C6)N7CCOCC7)C)C)C)OC(=O)[C@H]8C[C@H](C8(C)C)C(=O)O

DOS

IR

Vibrations