Geometry & MOs

Info

ID:	78264
PubChem CID:	49684234
Reduced:	SN2O5C21H30 (1)
Stoich.:	AB2C5D21E30 (1)
Weight, g/mol:	424.183207
ΔH_f, kcal/mol:	-160.98
Dipole, Da:	5.96
IP(EA), eV:	-8.45(-0.59)
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-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations