Geometry & MOs

Info

ID:	82557
PubChem CID:	49856176
Reduced:	OBr2N2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	498.167853
ΔH_f, kcal/mol:	15.25
Dipole, Da:	9.33
IP(EA), eV:	-8.53(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R,10R)-9-benzoyloxy-2-ethyl-8,8-dimethyl-4-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] benzoate

Drug info:

PubChemData

Smile

CC1=C(N=C2C(=C(C=C(C2=O)Br)Br)N1)C

DOS

IR

Vibrations