Geometry & MOs

Info

ID:	136655
PubChem CID:	52078915
Reduced:	ClSO2N4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	410.037102
ΔH_f, kcal/mol:	28.52
Dipole, Da:	2.3
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dichloro-1-benzothiophen-2-yl)-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)CC4=NON=C4C)Cl

DOS

IR

Vibrations