Geometry & MOs

Info

ID:	36064
PubChem CID:	7980714
Reduced:	NSO5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	403.145344
ΔH_f, kcal/mol:	-187.86
Dipole, Da:	5.26
IP(EA), eV:	-9.47(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN([C@@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations