Geometry & MOs

Info

ID:	344793
PubChem CID:	127268414
Reduced:	ClNSO5C16H22 (1)
Stoich.:	ABCD5E16F22 (1)
Weight, g/mol:	380.140593
ΔH_f, kcal/mol:	-201.96
Dipole, Da:	4.37
IP(EA), eV:	-8.78(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCOC(C1)CS(=O)(=O)NCCC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations