Geometry & MOs

Info

ID:	136784
PubChem CID:	52099906
Reduced:	ClSN2O5H21C24 (1)
Stoich.:	ABC2D5E21F24 (1)
Weight, g/mol:	492.052226
ΔH_f, kcal/mol:	-132.58
Dipole, Da:	9.57
IP(EA), eV:	-8.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-5,6-dimethyl-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CC(=O)C3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations