Geometry & MOs

Info

ID:	136653
PubChem CID:	52078913
Reduced:	S2N4O5C24H26 (1)
Stoich.:	A2B4C5D24E26 (1)
Weight, g/mol:	376.076075
ΔH_f, kcal/mol:	-110.97
Dipole, Da:	3.29
IP(EA), eV:	-8.38(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2[C@H]3CCS(=O)(=O)C3)C(=O)NC4=NC(=CS4)C5=CC6=C(C=C5)OCCCO6

DOS

IR

Vibrations