Geometry & MOs

Info

ID:	34368
PubChem CID:	7890971
Reduced:	NSO3C8H8 (2)
Stoich.:	ABC3D8E8 (2)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-193.98
Dipole, Da:	8.47
IP(EA), eV:	-9.39(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations