Geometry & MOs

Info

ID:	325219
PubChem CID:	126682077
Reduced:	BrSO2N3C9H12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	475.163102
ΔH_f, kcal/mol:	-26.26
Dipole, Da:	4.66
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(methylamino)-3-oxo-6'-propan-2-yloxyspiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxymethyl acetate

Drug info:

PubChemData

Smile

CN(C1=C(N=CC(=C1)Br)N)S(=O)(=O)C2CC2

DOS

IR

Vibrations