Geometry & MOs

Info

ID:	249208
PubChem CID:	103087739
Reduced:	OSN3C12H25 (1)
Stoich.:	ABC3D12E25 (1)
Weight, g/mol:	354.984813
ΔH_f, kcal/mol:	-65.07
Dipole, Da:	4.19
IP(EA), eV:	-8.6(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CSCCCCNC1CCN(CC1)CC(=O)N

DOS

IR

Vibrations