Geometry & MOs

Info

ID:	63661
PubChem CID:	26758897
Reduced:	NSO6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	391.108959
ΔH_f, kcal/mol:	-219.61
Dipole, Da:	5.69
IP(EA), eV:	-9.01(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)OC(=O)C2=CC3=CC=CC=C3C=C2OC

DOS

IR

Vibrations