Geometry & MOs

Info

ID:	67193
PubChem CID:	46506036
Reduced:	SN5O5H21C24 (1)
Stoich.:	AB5C5D21E24 (1)
Weight, g/mol:	452.112996
ΔH_f, kcal/mol:	-53.64
Dipole, Da:	9.16
IP(EA), eV:	-8.93(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)N4C(=O)C5=C(C=CS5)NC4=O

DOS

IR

Vibrations