Geometry & MOs

Info

ID:	60652
PubChem CID:	26697344
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	-179.05
Dipole, Da:	4.25
IP(EA), eV:	-9.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-(2,5-dimethylpyrrol-1-yl)benzamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCCC3)OC

DOS

IR

Vibrations