Geometry & MOs

Info

ID:	344942
PubChem CID:	127268702
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	399.117415
ΔH_f, kcal/mol:	22.0
Dipole, Da:	4.18
IP(EA), eV:	-9.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)S(=O)(=O)N(C3CC3)C4CCC5=CC=CC=C45)C

DOS

IR

Vibrations