Geometry & MOs

Info

ID:	77635
PubChem CID:	49658529
Reduced:	ClO2N7H18C22 (1)
Stoich.:	AB2C7D18E22 (1)
Weight, g/mol:	459.076803
ΔH_f, kcal/mol:	106.48
Dipole, Da:	4.87
IP(EA), eV:	-9.52(-1.3)
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-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)CN3C=NC4=C(C3=O)N=NN4CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations