Geometry & MOs

Info

ID:	34029
PubChem CID:	7889487
Reduced:	F2N2O2S2H10C15 (1)
Stoich.:	A2B2C2D2E10F15 (1)
Weight, g/mol:	369.89039
ΔH_f, kcal/mol:	-92.05
Dipole, Da:	1.92
IP(EA), eV:	-9.18(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)CSC2=NC=NC3=C2C=CS3)OC(F)F

DOS

IR

Vibrations