Geometry & MOs

Info

ID:	342624
PubChem CID:	127265784
Reduced:	N4H12C13 (1)
Stoich.:	A4B12C13 (1)
Weight, g/mol:	339.90882
ΔH_f, kcal/mol:	109.99
Dipole, Da:	6.17
IP(EA), eV:	-9.12(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C=CC2=C(C=NC=C2)C#N

DOS

IR

Vibrations