Geometry & MOs

Info

ID:	245177
PubChem CID:	99437768
Reduced:	S2O3N4C25H30 (1)
Stoich.:	A2B3C4D25E30 (1)
Weight, g/mol:	486.230077
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	3.52
IP(EA), eV:	-8.03(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dimethylsulfamoyl)-N-[4-(oxan-4-ylamino)phenyl]-2-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CSCCC(=O)NC4=CC=C(C=C4)NC5CCOCC5

DOS

IR

Vibrations