Geometry & MOs

Info

ID:	207989
PubChem CID:	80476995
Reduced:	BrOSN5C9H10 (1)
Stoich.:	ABCD5E9F10 (1)
Weight, g/mol:	327.0041
ΔH_f, kcal/mol:	7.72
Dipole, Da:	3.66
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-diethylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanone

Drug info:

PubChemData

Smile

C1=CSC(=C1Br)CNC(=O)CN2C=NC(=N2)N

DOS

IR

Vibrations