Geometry & MOs

Info

ID:	396989
PubChem CID:	135029552
Reduced:	NSO2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	336.118401
ΔH_f, kcal/mol:	-15.56
Dipole, Da:	3.69
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-2-yl (3S)-3-benzylsulfanylbutanoate

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)OC1=CC=CC2=C1N=CC=C2)SCC3=CC=CC=C3

DOS

IR

Vibrations