Geometry & MOs

Info

ID:	156987
PubChem CID:	56404373
Reduced:	SN2O6C24H30 (1)
Stoich.:	AB2C6D24E30 (1)
Weight, g/mol:	413.116064
ΔH_f, kcal/mol:	-203.15
Dipole, Da:	3.57
IP(EA), eV:	-9.27(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,4-dichlorophenyl)oxan-4-yl]-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC(CC3)C4OCCO4)OC

DOS

IR

Vibrations