Geometry & MOs

Info

ID:	162491
PubChem CID:	57394852
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	300.094392
ΔH_f, kcal/mol:	-53.73
Dipole, Da:	4.95
IP(EA), eV:	-9.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1CN(C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations