Geometry & MOs

Info

ID:	78270
PubChem CID:	49684242
Reduced:	SN2O3C24H36 (1)
Stoich.:	AB2C3D24E36 (1)
Weight, g/mol:	433.203528
ΔH_f, kcal/mol:	-128.5
Dipole, Da:	5.89
IP(EA), eV:	-8.56(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methylsulfamoyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNS(=O)(=O)C3=C(C(=C(C(=C3C)C)C)C)C

DOS

IR

Vibrations