Geometry & MOs

Info

ID:	187287
PubChem CID:	77554826
Reduced:	OF2N3H11C13 (2)
Stoich.:	AB2C3D11E13 (2)
Weight, g/mol:	351.114044
ΔH_f, kcal/mol:	-148.62
Dipole, Da:	3.7
IP(EA), eV:	-8.56(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonyl)-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CNN1)C2=NC=CC(=C2)OC3=CC(=C(C=C3)F)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)N5C=CC=C5

DOS

IR

Vibrations