Geometry & MOs

Info

ID:	78269
PubChem CID:	49684241
Reduced:	SCl2N2O3C19H24 (1)
Stoich.:	AB2C2D3E19F24 (1)
Weight, g/mol:	432.244664
ΔH_f, kcal/mol:	-96.38
Dipole, Da:	4.9
IP(EA), eV:	-8.59(-1.14)
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]-2,3,4,5,6-pentamethylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations