Geometry & MOs

Info

ID:	135577
PubChem CID:	51895592
Reduced:	S2N3O3C18H25 (1)
Stoich.:	A2B3C3D18E25 (1)
Weight, g/mol:	408.97701
ΔH_f, kcal/mol:	-80.78
Dipole, Da:	7.37
IP(EA), eV:	-8.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5,6-dimethylpyrimidin-4-olate

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CC=CS2)N(C)C

DOS

IR

Vibrations