Geometry & MOs

Info

ID:	24727
PubChem CID:	612776
Reduced:	Cl2O8H12C17 (1)
Stoich.:	A2B8C12D17 (1)
Weight, g/mol:	413.990923
ΔH_f, kcal/mol:	-271.59
Dipole, Da:	5.37
IP(EA), eV:	-9.39(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,8-dichloro-5-hydroxy-5'-methoxy-7-methyl-3',4-dioxospiro[1,3-benzodioxine-2,6'-cyclohexa-1,4-diene]-1'-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1Cl)OC3(C(=CC(=O)C=C3OC)C(=O)OC)OC2=O)O)Cl

DOS

IR

Vibrations