Geometry & MOs

Info

ID:	213920
PubChem CID:	81065551
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-160.38
Dipole, Da:	4.55
IP(EA), eV:	-9.37(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)OC1=CC=CC=C1

DOS

IR

Vibrations