Geometry & MOs

Info

ID:	187969
PubChem CID:	77649456
Reduced:	SF3N3O3C27H34 (1)
Stoich.:	AB3C3D3E27F34 (1)
Weight, g/mol:	478.117413
ΔH_f, kcal/mol:	-261.3
Dipole, Da:	1.05
IP(EA), eV:	-9.42(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-dihydroisoindol-2-yl)-3-(naphthalen-1-ylsulfonylamino)propan-2-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C)C1C(CCC(C1C2=CN=CS2)O)C3CNCC3NC(=O)CCC(=O)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations