Geometry & MOs

Info

ID:	63682
PubChem CID:	26758967
Reduced:	NSO6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	405.124609
ΔH_f, kcal/mol:	-216.82
Dipole, Da:	5.92
IP(EA), eV:	-9.07(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations