Geometry & MOs

Info

ID:	427597
PubChem CID:	135160372
Reduced:	SF3N3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	484.139211
ΔH_f, kcal/mol:	-106.44
Dipole, Da:	6.01
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2R)-2-amino-2-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(C(CN1SC2=CC=CC3=C2CC(C3)C4CC4)C)C5=NC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations