Geometry & MOs

Info

ID:	243591
PubChem CID:	99233193
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	480.183127
ΔH_f, kcal/mol:	-165.78
Dipole, Da:	6.32
IP(EA), eV:	-8.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-2-(propylsulfonylamino)benzamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC=C1C(=O)N[C@H](C)CN2CCOCC2

DOS

IR

Vibrations