Geometry & MOs

Info

ID:	61353
PubChem CID:	26708502
Reduced:	S2O3N4C21H24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	386.121275
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	4.92
IP(EA), eV:	-8.99(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations