Geometry & MOs

Info

ID:	430349
PubChem CID:	135170413
Reduced:	O5C23H24 (1)
Stoich.:	A5B23C24 (1)
Weight, g/mol:	583.121176
ΔH_f, kcal/mol:	-101.64
Dipole, Da:	4.56
IP(EA), eV:	-8.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(2-hydroxybutanoyl)-5-(methylsulfamoyl)-1,3-dihydroisoindole-1-carboxamide

Drug info:

PubChemData

Smile

CC#CC1=CC(=C(C=C1)C2=C(C3[C@H](C2=O)C4CCC3O4)OC(=O)C(C)C)OC

DOS

IR

Vibrations