Geometry & MOs

Info

ID:	59432
PubChem CID:	24864752
Reduced:	ClO4N5H18C22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	398.100168
ΔH_f, kcal/mol:	-46.41
Dipole, Da:	4.91
IP(EA), eV:	-9.17(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

CN(CC1=CN=CC=C1)C(=O)C2=C/C(=C\3/NNC(=O)N3C4=CC=CC=C4Cl)/C(=O)C=C2O

DOS

IR

Vibrations