Geometry & MOs

Info

ID:	365705
PubChem CID:	127318430
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-28.34
Dipole, Da:	2.02
IP(EA), eV:	-8.6(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C3=CSC(=N3)NC(=O)C4CC5CCC4O5

DOS

IR

Vibrations