Geometry & MOs

Info

ID:	25909
PubChem CID:	633368
Reduced:	SN4H6O9C12 (1)
Stoich.:	AB4C6D9E12 (1)
Weight, g/mol:	384.120903
ΔH_f, kcal/mol:	38.91
Dipole, Da:	5.16
IP(EA), eV:	-10.11(-2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3,3-dimethyloxiran-2-yl)methyl]-4,6-dihydroxy-3-methoxyphenyl]-4-hydroxychromen-7-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations