Geometry & MOs

Info

ID:	436382
PubChem CID:	135199624
Reduced:	SN5O8C44H65 (1)
Stoich.:	AB5C8D44E65 (1)
Weight, g/mol:	474.027308
ΔH_f, kcal/mol:	-363.02
Dipole, Da:	4.62
IP(EA), eV:	-8.37(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C(=O)CN2C3=C(C=C2C(=O)NC4CCC(CC4)C(=O)NCCCCCCCC(=O)NCCOCCOCCC(=O)OC(C)(C)C)SC=C3

DOS

IR

Vibrations