Geometry & MOs

Info

ID:

439584

PubChem CID:

135229360

Reduced:

OS2N7C28H33 (1)

Stoich.:

AB2C7D28E33 (1)

Weight, g/mol:

874.435076

ΔHf, kcal/mol:

97.45

Dipole, Da:

7.27

IP(EA), eV:

 -8.36(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-[(1R)-2-[3-[3-[7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxo-3-propan-2-ylimidazo[4,5-c]pyridin-5-yl]piperidin-1-yl]-3-oxoprop-1-en-2-yl]cyclopropyl]-5-(1-prop-2-enoylpiperidin-3-yl)imidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NNC3=CC=C(CC32)NC(=O)C4CCN(C4)CC(=S)C5CCN(CC5)C6=NC=CS6

DOS

IR

Vibrations