Geometry & MOs

Info

ID:

231617

PubChem CID:

87574314

Reduced:

I6N6O13C31H36 (1)

Stoich.:

A6B6C13D31E36 (1)

Weight, g/mol:

580.278948

ΔHf, kcal/mol:

-390.03

Dipole, Da:

2.53

IP(EA), eV:

 -9.22(-2.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-chloropyridin-4-yl)-8-(cyclopropylamino)-6-[[4-[[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]amino]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(N(C(=O)C1=C(C=C(C(=C1I)C(=O)N(CCO)CCO)I)I)NC(=O)CO)N(C(=O)C2=C(C=C(C(=C2I)C(=O)N(CCO)CCO)I)I)NC(=O)CO)O

DOS

IR

Vibrations