Geometry & MOs

Info

ID:	144196
PubChem CID:	53331092
Reduced:	BrO2N5H18C22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	370.058755
ΔH_f, kcal/mol:	48.21
Dipole, Da:	2.16
IP(EA), eV:	-9.35(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1NC(=O)CN3C(=O)C4=CC(=NN4C=N3)C5=CC=C(C=C5)Br

DOS

IR

Vibrations