Geometry & MOs

Info

ID:	61259
PubChem CID:	26707512
Reduced:	SN4O5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	472.010046
ΔH_f, kcal/mol:	-132.68
Dipole, Da:	3.77
IP(EA), eV:	-9.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4CC4

DOS

IR

Vibrations