Geometry & MOs

Info

ID:

185114

PubChem CID:

77256099

Reduced:

ClSO2N7C25H36 (1)

Stoich.:

ABC2D7E25F36 (1)

Weight, g/mol:

561.265272

ΔHf, kcal/mol:

-25.38

Dipole, Da:

4.0

IP(EA), eV:

 -8.73(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[5-chloro-2-[[7-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]amino]pyrimidin-4-yl]amino]cyclohexyl]methanesulfonamide

Drug info:

PubChemData

Smile

CN1CCN(CC2=C1C=C(C=C2)NC3=NC=C(C(=N3)NC4CCCCC4NS(=O)(=O)C)Cl)CC5CC5

DOS

IR

Vibrations