Geometry & MOs

Info

ID:	342626
PubChem CID:	127265786
Reduced:	BrOSN4H9C12 (1)
Stoich.:	ABCD4E9F12 (1)
Weight, g/mol:	338.91357
ΔH_f, kcal/mol:	67.5
Dipole, Da:	3.09
IP(EA), eV:	-9.14(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-[2-(1,3-thiazol-5-yl)ethenyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C=CC2=NC3=C(C=C(S3)Br)C(=O)N2

DOS

IR

Vibrations