Geometry & MOs

Info

ID:	78247
PubChem CID:	49684213
Reduced:	ClSN2O3C20H27 (1)
Stoich.:	ABC2D3E20F27 (1)
Weight, g/mol:	410.143092
ΔH_f, kcal/mol:	-108.32
Dipole, Da:	4.03
IP(EA), eV:	-8.62(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2CCN(CC2)CC3=C(OC(=C3)C)C

DOS

IR

Vibrations