Geometry & MOs

Info

ID:	32521
PubChem CID:	7840835
Reduced:	ClN2O5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	391.031493
ΔH_f, kcal/mol:	-146.39
Dipole, Da:	8.77
IP(EA), eV:	-9.42(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations