Geometry & MOs

Info

ID:	144198
PubChem CID:	53331614
Reduced:	SF2N2O2H12C19 (1)
Stoich.:	AB2C2D2E12F19 (1)
Weight, g/mol:	398.049191
ΔH_f, kcal/mol:	-94.02
Dipole, Da:	3.88
IP(EA), eV:	-9.12(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CN2C3=C(C(=O)N(C2=O)C4=CC(=CC=C4)F)SC=C3

DOS

IR

Vibrations