Geometry & MOs

Info

ID:	427594
PubChem CID:	135160335
Reduced:	N2S2F3O4C20H21 (1)
Stoich.:	A2B2C3D4E20F21 (1)
Weight, g/mol:	495.126204
ΔH_f, kcal/mol:	-276.39
Dipole, Da:	1.73
IP(EA), eV:	-8.84(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,6-dimethyl-4-[4-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]sulfanyl-N-oxo-2,3-dihydro-1H-indene-2-carboxamide

Drug info:

PubChemData

Smile

COC(CC1=CSC2=C1C=C(C=C2)S(=O)(=O)NCCNC3=CC=C(C=C3)C(F)(F)F)O

DOS

IR

Vibrations