Geometry & MOs

Info

ID:	272624
PubChem CID:	103750282
Reduced:	OSBr2N3H9C10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	222.057532
ΔH_f, kcal/mol:	28.7
Dipole, Da:	2.26
IP(EA), eV:	-9.47(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-1H-pyrazol-5-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(NN=C1)NC(=O)C2=C(SC(=C2)Br)Br

DOS

IR

Vibrations