Geometry & MOs

Info

ID:	121921
PubChem CID:	50786614
Reduced:	ClSO3N5H18C24 (1)
Stoich.:	ABC3D5E18F24 (1)
Weight, g/mol:	481.061153
ΔH_f, kcal/mol:	18.21
Dipole, Da:	2.79
IP(EA), eV:	-9.38(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCC3=CC=CC=C3)C4=NC(=NO4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations