Geometry & MOs

Info

ID:	62639
PubChem CID:	26732591
Reduced:	ClN3O8H16C19 (1)
Stoich.:	AB3C8D16E19 (1)
Weight, g/mol:	383.088413
ΔH_f, kcal/mol:	-209.44
Dipole, Da:	3.01
IP(EA), eV:	-8.49(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations