Geometry & MOs

Info

ID:	170829
PubChem CID:	75285202
Reduced:	ClSN3O5H22C23 (1)
Stoich.:	ABC3D5E22F23 (1)
Weight, g/mol:	500.108518
ΔH_f, kcal/mol:	-127.92
Dipole, Da:	1.14
IP(EA), eV:	-8.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4a,7a-dihydrothieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CNC(=O)CN2C3C=CSC3C(=O)N(C2=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations