Geometry & MOs

Info

ID:	226199
PubChem CID:	87349961
Reduced:	OC2H4 (6)
Stoich.:	AB2C4 (6)
Weight, g/mol:	527.149047
ΔH_f, kcal/mol:	-265.4
Dipole, Da:	2.89
IP(EA), eV:	-9.97(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[3-oxo-5-[4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-1H-isoindol-2-yl]butanoic acid

Drug info:

PubChemData

Smile

C(CC=O)CC(COCCOCCOCCO)O

DOS

IR

Vibrations