Geometry & MOs

Info

ID:	168115
PubChem CID:	74925649
Reduced:	FSO4N5C20H22 (1)
Stoich.:	ABC4D5E20F22 (1)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-132.65
Dipole, Da:	3.13
IP(EA), eV:	-9.61(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-5H-pyrimidin-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC1C(C(=O)N(C(=O)N1)CC=C)CC2=NN=C(O2)SCC(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations