Geometry & MOs

Info

ID:	77636
PubChem CID:	49658534
Reduced:	ClSO4N5H18C20 (1)
Stoich.:	ABC4D5E18F20 (1)
Weight, g/mol:	473.092453
ΔH_f, kcal/mol:	-49.29
Dipole, Da:	8.74
IP(EA), eV:	-9.2(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NCCOC)C3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations