Geometry & MOs

Info

ID:	187892
PubChem CID:	77639475
Reduced:	SF2N2O2C25H28 (1)
Stoich.:	AB2C2D2E25F28 (1)
Weight, g/mol:	339.95173
ΔH_f, kcal/mol:	-139.21
Dipole, Da:	4.09
IP(EA), eV:	-9.22(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-ethyl-5-(furan-2-yl)-4aH-thieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)CN(CC(C(CC2=CC(=CC(=C2)F)F)N)O)C(=O)C3=CC=C(S3)C

DOS

IR

Vibrations