Geometry & MOs

Info

ID:	436385
PubChem CID:	135199656
Reduced:	N2O3H22C24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	502.058608
ΔH_f, kcal/mol:	-65.44
Dipole, Da:	5.26
IP(EA), eV:	-8.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-5-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)C(=O)OC23C4=C(C=C(C=C4)N)OC5=C3C=CC(=C5)N

DOS

IR

Vibrations