Geometry & MOs

Info

ID:	343637
PubChem CID:	127266813
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	339.125277
ΔH_f, kcal/mol:	-73.46
Dipole, Da:	4.32
IP(EA), eV:	-9.24(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-[(4-oxo-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-1-yl)sulfonyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1S(=O)(=O)NCC2CC(=NO2)C

DOS

IR

Vibrations