Geometry & MOs

Info

ID:	209565
PubChem CID:	80688177
Reduced:	ClSN2O2C11H15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	280.007326
ΔH_f, kcal/mol:	-56.09
Dipole, Da:	5.99
IP(EA), eV:	-8.91(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1CCOCC1)C2=NC(=C(S2)C=O)Cl

DOS

IR

Vibrations