Geometry & MOs

Info

ID:	62631
PubChem CID:	26732559
Reduced:	ClN2O5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	404.0445
ΔH_f, kcal/mol:	-130.57
Dipole, Da:	6.0
IP(EA), eV:	-9.57(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations