Geometry & MOs

Info

ID:	149278
PubChem CID:	53788950
Reduced:	SN3O5C37H41 (1)
Stoich.:	AB3C5D37E41 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-136.93
Dipole, Da:	9.34
IP(EA), eV:	-8.68(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-methylidene-7-propan-2-ylideneisoindole-1,3-diol

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C1C(=O)CC(OC1=O)(CCC2=CC=CC=C2)CCC3=CC=CC=C3)C4=CC(=CC=C4)NS(=O)(=O)C5=NC=C(C=C5)N

DOS

IR

Vibrations