Geometry & MOs

Info

ID:	136741
PubChem CID:	52092117
Reduced:	NF3O5H22C27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	515.158017
ΔH_f, kcal/mol:	-242.51
Dipole, Da:	4.81
IP(EA), eV:	-8.92(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[9-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2CC3=C(C=CC4=C3OC(=C(C4=O)OC5=CC=CC(=C5)OC)C(F)(F)F)OC2

DOS

IR

Vibrations