Geometry & MOs

Info

ID:	136778
PubChem CID:	52099464
Reduced:	ClSN3O5H22C24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	484.060818
ΔH_f, kcal/mol:	-146.37
Dipole, Da:	3.97
IP(EA), eV:	-8.58(-1.08)
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-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CC(=O)NC3=C(C=CC(=C3)OC)OC)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations