Geometry & MOs

Info

ID:	347634
PubChem CID:	127272500
Reduced:	ClSN3O3C17H20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	374.184172
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	5.96
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CSCC3=O

DOS

IR

Vibrations