Geometry & MOs

Info

ID:	64175
PubChem CID:	29197787
Reduced:	FSO3N4C22H25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	445.170965
ΔH_f, kcal/mol:	-111.58
Dipole, Da:	5.39
IP(EA), eV:	-8.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-fluoro-4-[[(2R)-2-(1H-indol-3-yl)-2-pyrrolidin-1-ium-1-ylethyl]sulfamoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCCC4)F

DOS

IR

Vibrations