Geometry & MOs

Info

ID:	265567
PubChem CID:	103530259
Reduced:	FSN2O3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	300.077993
ΔH_f, kcal/mol:	-150.37
Dipole, Da:	6.16
IP(EA), eV:	-9.18(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)N)S(=O)(=O)N2CCC(C2)OC

DOS

IR

Vibrations