Geometry & MOs

Info

ID:	138341
PubChem CID:	52351726
Reduced:	ClSN2O2C17H21 (1)
Stoich.:	ABC2D2E17F21 (1)
Weight, g/mol:	311.067284
ΔH_f, kcal/mol:	-34.11
Dipole, Da:	6.58
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCNS(=O)(=O)C1=CC=CC=C1Cl)CC2=CC=CC=C2

DOS

IR

Vibrations