Geometry & MOs

Info

ID:	60059
PubChem CID:	26675629
Reduced:	FSO2N3C26H26 (1)
Stoich.:	ABC2D3E26F26 (1)
Weight, g/mol:	481.98484
ΔH_f, kcal/mol:	-67.07
Dipole, Da:	1.22
IP(EA), eV:	-9.09(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations