Geometry & MOs

Info

ID:	36065
PubChem CID:	7980716
Reduced:	NSO5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	403.145344
ΔH_f, kcal/mol:	-185.27
Dipole, Da:	7.97
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations