Geometry & MOs

Info

ID:

439553

PubChem CID:

135229329

Reduced:

NSC7H15 (1)

Stoich.:

ABC7D15 (1)

Weight, g/mol:

1389.699563

ΔHf, kcal/mol:

-21.36

Dipole, Da:

1.57

IP(EA), eV:

-8.83(0.29)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[3-[3-cyclopropyl-7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-4-oxoimidazo[4,5-c]pyridin-5-yl]cyclopentyl]-2-[2-[7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[3-[2-[1-[7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[3-[methyl(prop-2-enoyl)amino]cyclopentyl]-4-oxoimidazo[4,5-c]pyridin-3-yl]-2-bicyclo[1.1.1]pentanyl]prop-2-enoyl-methylamino]cyclopentyl]-4-oxoimidazo[4,5-c]pyridin-3-yl]cyclobutyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)S)C

DOS

IR

Vibrations