Geometry & MOs

Info

ID:	342625
PubChem CID:	127265785
Reduced:	BrOS2N4H5C10 (1)
Stoich.:	ABC2D4E5F10 (1)
Weight, g/mol:	335.96804
ΔH_f, kcal/mol:	89.87
Dipole, Da:	4.45
IP(EA), eV:	-9.2(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-[2-(2-methylpyrazol-3-yl)ethenyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=C(SC2=C1C(=O)NC(=N2)C=CC3=CSN=N3)Br

DOS

IR

Vibrations