Geometry & MOs

Info

ID:	136654
PubChem CID:	52078914
Reduced:	ClSO2N4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	390.091725
ΔH_f, kcal/mol:	39.63
Dipole, Da:	1.65
IP(EA), eV:	-8.95(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NON=C1CN2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

DOS

IR

Vibrations