Geometry & MOs

Info

ID:	208740
PubChem CID:	80573718
Reduced:	BrNSO3H10C12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	259.077933
ΔH_f, kcal/mol:	-65.78
Dipole, Da:	3.54
IP(EA), eV:	-9.24(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)C2=NC=C(S2)C(=O)OC

DOS

IR

Vibrations