Geometry & MOs

Info

ID:	68437
PubChem CID:	46508403
Reduced:	ClFN6C17H18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	438.107185
ΔH_f, kcal/mol:	49.99
Dipole, Da:	2.6
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations