Geometry & MOs

Info

ID:	258266
PubChem CID:	103152415
Reduced:	BrNSO4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	-156.65
Dipole, Da:	8.02
IP(EA), eV:	-9.25(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(naphthalene-2-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CCCC1=CC=C(S1)Br

DOS

IR

Vibrations