Geometry & MOs

Info

ID:	78255
PubChem CID:	49684222
Reduced:	SN2O3C23H34 (1)
Stoich.:	AB2C3D23E34 (1)
Weight, g/mol:	419.187878
ΔH_f, kcal/mol:	-123.18
Dipole, Da:	4.32
IP(EA), eV:	-8.54(-0.27)
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]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations