Geometry & MOs

Info

ID:	175512
PubChem CID:	75913098
Reduced:	BrSO2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	447.199191
ΔH_f, kcal/mol:	-34.52
Dipole, Da:	8.86
IP(EA), eV:	-8.87(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)CSCC(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations