Geometry & MOs

Info

ID:	121920
PubChem CID:	50786565
Reduced:	SF2O3N5H17C24 (1)
Stoich.:	AB2C3D5E17F24 (1)
Weight, g/mol:	491.081888
ΔH_f, kcal/mol:	-68.2
Dipole, Da:	4.61
IP(EA), eV:	-9.42(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations