Geometry & MOs

Info

ID:	146836
PubChem CID:	53757154
Reduced:	ClO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	571.182416
ΔH_f, kcal/mol:	-158.6
Dipole, Da:	2.54
IP(EA), eV:	-9.32(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylindazol-5-yl)-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]-5H-2,6-naphthyridin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)O)Cl

DOS

IR

Vibrations