Geometry & MOs

Info

ID:	137857
PubChem CID:	52273478
Reduced:	F2O3N4H20C21 (1)
Stoich.:	A2B3C4D20E21 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-175.63
Dipole, Da:	2.87
IP(EA), eV:	-8.13(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2F)NC(=O)CCN3C4=CC=CC=C4C(=O)NC3=O)F

DOS

IR

Vibrations