Geometry & MOs

Info

ID:	76853
PubChem CID:	48425483
Reduced:	SO2N6C13H22 (1)
Stoich.:	AB2C6D13E22 (1)
Weight, g/mol:	400.98673
ΔH_f, kcal/mol:	-10.17
Dipole, Da:	7.28
IP(EA), eV:	-9.26(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromothiophen-2-yl)-N-[2-(diethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C(C)SC1=NN=NN1C2CC2

DOS

IR

Vibrations