Geometry & MOs

Info

ID:	65115
PubChem CID:	29204490
Reduced:	SO3N4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	425.162057
ΔH_f, kcal/mol:	-61.78
Dipole, Da:	7.15
IP(EA), eV:	-8.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

DOS

IR

Vibrations