Geometry & MOs

Info

ID:	78242
PubChem CID:	49684205
Reduced:	SN2O4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-140.74
Dipole, Da:	5.4
IP(EA), eV:	-8.54(-0.28)
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-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations