Geometry & MOs

Info

ID:	236405
PubChem CID:	92712757
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-20.07
Dipole, Da:	9.33
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-3-acetyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-2H-1,3,4-oxadiazol-5-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN([C@H](O3)C4=CSC5=C4CCCC5)C(=O)C

DOS

IR

Vibrations