Geometry & MOs

Info

ID:	121937
PubChem CID:	50786790
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	479.086367
ΔH_f, kcal/mol:	-29.6
Dipole, Da:	4.97
IP(EA), eV:	-8.39(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCSC1=NNC(=O)C2=CC(=NN21)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations