Geometry & MOs

Info

ID:	165284
PubChem CID:	74526103
Reduced:	FSO2N4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	402.045647
ΔH_f, kcal/mol:	-61.96
Dipole, Da:	4.22
IP(EA), eV:	-9.09(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4aH-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3C(N=C(N3C)SCC4=CC=C(C=C4)F)N(C2=O)C

DOS

IR

Vibrations