Geometry & MOs

Info

ID:	141108
PubChem CID:	52819774
Reduced:	SN3O6C23H35 (1)
Stoich.:	AB3C6D23E35 (1)
Weight, g/mol:	447.199191
ΔH_f, kcal/mol:	-267.79
Dipole, Da:	9.93
IP(EA), eV:	-9.49(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(1-propylpiperidin-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC[C@H]3CCCO3

DOS

IR

Vibrations