Geometry & MOs

Info

ID:	366767
PubChem CID:	127320304
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	302.130028
ΔH_f, kcal/mol:	-99.72
Dipole, Da:	3.61
IP(EA), eV:	-8.78(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

Drug info:

PubChemData

Smile

CC1C2=CC=CN2CCN1S(=O)(=O)C3CCOC3

DOS

IR

Vibrations