Geometry & MOs

Info

ID:	360965
PubChem CID:	127301796
Reduced:	ClSO3N4C15H17 (1)
Stoich.:	ABC3D4E15F17 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-57.63
Dipole, Da:	8.44
IP(EA), eV:	-9.86(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations