Geometry & MOs

Info

ID:

439581

PubChem CID:

135229357

Reduced:

O2S2N7C30H35 (1)

Stoich.:

A2B2C7D30E35 (1)

Weight, g/mol:

890.466376

ΔHf, kcal/mol:

30.78

Dipole, Da:

10.05

IP(EA), eV:

 -8.54(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-[3-[3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-oxoimidazo[1,2-c]pyrimidin-6-yl]cyclopentyl]-5-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-[3-[methyl(prop-2-enoyl)amino]cyclopentyl]-5-oxoimidazo[1,2-c]pyrimidin-3-yl]-N-methylhex-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NNC3=C2C=C(C=C3)NC(=O)[C@@H](C4CCN(C4)CC(=O)C5CCN(CC5)C6=NC=CS6)SC

DOS

IR

Vibrations