Geometry & MOs

Info

ID:	185177
PubChem CID:	77266017
Reduced:	SN4O9C29H48 (1)
Stoich.:	AB4C9D29E48 (1)
Weight, g/mol:	427.010217
ΔH_f, kcal/mol:	-409.51
Dipole, Da:	4.63
IP(EA), eV:	-8.69(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC(C)C1COCCCCOC2=CC=C(CC(C(=O)N1)NS(=O)(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O)C=C2

DOS

IR

Vibrations