Geometry & MOs

Info

ID:	176223
PubChem CID:	76013211
Reduced:	BrO2N5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	372.074405
ΔH_f, kcal/mol:	-16.66
Dipole, Da:	5.48
IP(EA), eV:	-9.27(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-4a,7a-dihydrothieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CN2C(=O)C3CC(NN3C=N2)C4=CC=C(C=C4)Br

DOS

IR

Vibrations