Geometry & MOs

Info

ID:	78274
PubChem CID:	49684246
Reduced:	SN2O4C23H34 (1)
Stoich.:	AB2C4D23E34 (1)
Weight, g/mol:	434.223929
ΔH_f, kcal/mol:	-152.37
Dipole, Da:	7.95
IP(EA), eV:	-8.56(-0.31)
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-ethoxy-3,5-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC2CCN(CC2)CC3=C(OC(=C3)C)C)C

DOS

IR

Vibrations