Geometry & MOs

Info

ID:	157227
PubChem CID:	56422422
Reduced:	SN2O6C20H28 (1)
Stoich.:	AB2C6D20E28 (1)
Weight, g/mol:	424.166808
ΔH_f, kcal/mol:	-236.11
Dipole, Da:	5.05
IP(EA), eV:	-9.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCCCC3C4OCCO4

DOS

IR

Vibrations