Geometry & MOs

Info

ID:	136656
PubChem CID:	52078916
Reduced:	SCl2O2N4H16C17 (1)
Stoich.:	AB2C2D4E16F17 (1)
Weight, g/mol:	410.037102
ΔH_f, kcal/mol:	30.22
Dipole, Da:	0.98
IP(EA), eV:	-9.15(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichloro-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=C(S3)C=C(C=C4)Cl)Cl

DOS

IR

Vibrations