Geometry & MOs

Info

ID:	344875
PubChem CID:	127268635
Reduced:	S2N3O4C15H25 (1)
Stoich.:	A2B3C4D15E25 (1)
Weight, g/mol:	358.192629
ΔH_f, kcal/mol:	-154.77
Dipole, Da:	9.37
IP(EA), eV:	-8.58(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)CNS(=O)(=O)C2CCS(=O)(=O)CC2

DOS

IR

Vibrations