Geometry & MOs

Info

ID:	314300
PubChem CID:	126621236
Reduced:	N3O4F6H19C26 (1)
Stoich.:	A3B4C6D19E26 (1)
Weight, g/mol:	290.13068
ΔH_f, kcal/mol:	-366.01
Dipole, Da:	4.18
IP(EA), eV:	-8.96(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,13-dioxatetracyclo[12.7.1.02,7.018,22]docosa-1(21),2,4,6,14,16,18(22),19-octaene

Drug info:

PubChemData

Smile

C1[C@H](O[C@@H](N1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(F)(F)F)COC3=CC=C(C=C3)NC(=O)OC4=CC=CC=C4

DOS

IR

Vibrations