Geometry & MOs

Info

ID:	203451
PubChem CID:	79831859
Reduced:	ClSN3O3H8C11 (1)
Stoich.:	ABC3D3E8F11 (1)
Weight, g/mol:	322.01393
ΔH_f, kcal/mol:	12.42
Dipole, Da:	4.79
IP(EA), eV:	-9.09(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C2=C(C(=CC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations