Geometry & MOs

Info

ID:	188720
PubChem CID:	77758665
Reduced:	S2N3O4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	335.119129
ΔH_f, kcal/mol:	-112.41
Dipole, Da:	5.28
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(naphthalen-1-ylsulfonylamino)hexanoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=CC=C1OC2=CC=C(S2)C(=O)NC3CN4CCC3CC4

DOS

IR

Vibrations