Geometry & MOs

Info

ID:	181222
PubChem CID:	76717693
Reduced:	ClSF3O3N6H16C21 (1)
Stoich.:	ABC3D3E6F16G21 (1)
Weight, g/mol:	693.322952
ΔH_f, kcal/mol:	-194.4
Dipole, Da:	5.97
IP(EA), eV:	-9.38(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-(2-oxopropyl)pyridin-1-ium-4-yl]-N-phenyl-5,5-bis(1-phenyl-2,3-dihydroindol-5-yl)penta-2,4-dienamide

Drug info:

PubChemData

Smile

CC(CC(=O)C1=C2CNC(=O)NC2=NC=N1)C3=NC=C(S3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations