Geometry & MOs

Info

ID:

447133

PubChem CID:

135280563

Reduced:

N4O5C32H36 (1)

Stoich.:

A4B5C32D36 (1)

Weight, g/mol:

1352.749238

ΔHf, kcal/mol:

-168.81

Dipole, Da:

5.91

IP(EA), eV:

 -8.69(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=CC(=C(C(=C2)NC3CCN(C3)C(=O)C=C)C)C(=O)NCC4=C(C=C(NC4=O)C)C

DOS

IR

Vibrations