Geometry & MOs

Info

ID:	138342
PubChem CID:	52352177
Reduced:	ClN3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	311.067284
ΔH_f, kcal/mol:	-60.08
Dipole, Da:	5.93
IP(EA), eV:	-10.05(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]1[N+](=O)[O-])C(=O)NCCNC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations