Geometry & MOs

Info

ID:	78273
PubChem CID:	49684245
Reduced:	SN2O4C23H34 (1)
Stoich.:	AB2C4D23E34 (1)
Weight, g/mol:	434.223929
ΔH_f, kcal/mol:	-145.74
Dipole, Da:	6.91
IP(EA), eV:	-8.61(-0.34)
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]-3-methyl-4-propoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNS(=O)(=O)C3=CC=C(C=C3)OCC(C)C

DOS

IR

Vibrations