Geometry & MOs

Info

ID:	136783
PubChem CID:	52099687
Reduced:	SO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	484.085971
ΔH_f, kcal/mol:	1.66
Dipole, Da:	3.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.844713
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=NC(=C2C=C(SC2=N1)C)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)[O-]

DOS

IR

Vibrations