Geometry & MOs

Info

ID:	78277
PubChem CID:	49684252
Reduced:	BrN2S2O3C17H23 (1)
Stoich.:	AB2C2D3E17F23 (1)
Weight, g/mol:	447.219178
ΔH_f, kcal/mol:	-67.23
Dipole, Da:	4.7
IP(EA), eV:	-8.66(-1.26)
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]-3-methylphenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CN2CCC(CC2)CNS(=O)(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations