Geometry & MOs

Info

ID:	78243
PubChem CID:	49684206
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	5.96
IP(EA), eV:	-8.57(-1.81)
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-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations