Geometry & MOs

Info

ID:

185112

PubChem CID:

77256065

Reduced:

ClON6C27H35 (1)

Stoich.:

ABC6D27E35 (1)

Weight, g/mol:

548.233638

ΔHf, kcal/mol:

10.05

Dipole, Da:

2.24

IP(EA), eV:

 -8.53(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C2=C1C=C(C=C2)NC3=NC=C(C(=N3)NC4C5CC(C4C(=O)N)C=C5)Cl)(C)C

DOS

IR

Vibrations