Geometry & MOs

Info

ID:	78275
PubChem CID:	49684247
Reduced:	SN2O4C23H34 (1)
Stoich.:	AB2C4D23E34 (1)
Weight, g/mol:	446.148713
ΔH_f, kcal/mol:	-152.96
Dipole, Da:	4.52
IP(EA), eV:	-8.58(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1C)S(=O)(=O)NCC2CCN(CC2)CC3=C(OC(=C3)C)C)C

DOS

IR

Vibrations