Geometry & MOs

Info

ID:	132351
PubChem CID:	51347530
Reduced:	SO2N4H18C23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	329.142722
ΔH_f, kcal/mol:	35.07
Dipole, Da:	2.86
IP(EA), eV:	-8.25(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-[(3-fluorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC=CC=C4OC)C#N)N)N

DOS

IR

Vibrations