Geometry & MOs

Info

ID:	284483
PubChem CID:	104050134
Reduced:	ClNO2S2C14H14 (1)
Stoich.:	ABC2D2E14F14 (1)
Weight, g/mol:	287.098
ΔH_f, kcal/mol:	-49.49
Dipole, Da:	6.39
IP(EA), eV:	-9.1(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CSC(=N1)CSC2=CC=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations