Geometry & MOs

Info

ID:	226187
PubChem CID:	87349886
Reduced:	PN2C3O4H7 (1)
Stoich.:	AB2C3D4E7 (1)
Weight, g/mol:	473.177313
ΔH_f, kcal/mol:	-183.39
Dipole, Da:	4.51
IP(EA), eV:	-10.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methyl-6-[4-[(4-methylphenyl)carbamothioylamino]phenyl]-3-oxo-1H-isoindol-2-yl]butanoic acid

Drug info:

PubChemData

Smile

C(CONP(=O)(O)O)C#N

DOS

IR

Vibrations