Geometry & MOs

Info

ID:	78237
PubChem CID:	49684199
Reduced:	SN2O3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	404.213364
ΔH_f, kcal/mol:	-120.5
Dipole, Da:	5.14
IP(EA), eV:	-8.6(-0.27)
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-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)S(=O)(=O)NCC2CCN(CC2)CC3=C(OC(=C3)C)C)C

DOS

IR

Vibrations