Geometry & MOs

Info

ID:	61241
PubChem CID:	26707277
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	488.128944
ΔH_f, kcal/mol:	-170.87
Dipole, Da:	5.21
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3CCCC3

DOS

IR

Vibrations