Geometry & MOs

Info

ID:	67194
PubChem CID:	46506038
Reduced:	SF3O3N4H19C20 (1)
Stoich.:	AB3C3D4E19F20 (1)
Weight, g/mol:	432.102289
ΔH_f, kcal/mol:	-239.37
Dipole, Da:	5.38
IP(EA), eV:	-8.56(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCN3C(=O)C4=C(C=CS4)NC3=O

DOS

IR

Vibrations