Geometry & MOs

Info

ID:	78257
PubChem CID:	49684224
Reduced:	SN2O5C21H28 (1)
Stoich.:	AB2C5D21E28 (1)
Weight, g/mol:	420.208279
ΔH_f, kcal/mol:	-158.57
Dipole, Da:	5.96
IP(EA), eV:	-8.57(-0.62)
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-methoxy-4,5-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations