Geometry & MOs

Info

ID:	157226
PubChem CID:	56422421
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	424.166808
ΔH_f, kcal/mol:	-106.07
Dipole, Da:	5.2
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)C(=O)CCCCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations