Geometry & MOs

Info

ID:	447781
PubChem CID:	135285710
Reduced:	FSN2O6C24H25 (1)
Stoich.:	ABC2D6E24F25 (1)
Weight, g/mol:	517.241056
ΔH_f, kcal/mol:	-240.13
Dipole, Da:	3.31
IP(EA), eV:	-9.12(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-[4-(tert-butylsulfamoyl)-3-[2-(dimethylamino)ethyl]phenyl]-6-fluoroindole-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N4CC(C4)C(=O)OC

DOS

IR

Vibrations