Geometry & MOs

Info

ID:	136776
PubChem CID:	52098766
Reduced:	N3O7H23C25 (1)
Stoich.:	A3B7C23D25 (1)
Weight, g/mol:	499.09687
ΔH_f, kcal/mol:	-158.68
Dipole, Da:	3.81
IP(EA), eV:	-8.85(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2O1)COC(=O)C3=CC(=C(C=C3)OC)NC(=O)[C@H](C)OC4=CC=CC=C4

DOS

IR

Vibrations