Geometry & MOs

Info

ID:	65117
PubChem CID:	29204493
Reduced:	SN3O6C19H27 (1)
Stoich.:	AB3C6D19E27 (1)
Weight, g/mol:	425.162057
ΔH_f, kcal/mol:	-182.34
Dipole, Da:	0.65
IP(EA), eV:	-9.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylsulfamoyl)phenyl]-2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[C@@H]2[C@@H]([C@H](CC2=O)C)C[N+](=O)[O-]

DOS

IR

Vibrations