Geometry & MOs

Info

ID:	140404
PubChem CID:	52692328
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-115.45
Dipole, Da:	5.9
IP(EA), eV:	-9.4(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(2-phenylethoxy)propyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCCCOCCC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations