Geometry & MOs

Info

ID:	233570
PubChem CID:	91145483
Reduced:	F4O4N5C26H31 (1)
Stoich.:	A4B4C5D26E31 (1)
Weight, g/mol:	404.27153
ΔH_f, kcal/mol:	-301.93
Dipole, Da:	3.04
IP(EA), eV:	-8.77(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,16-diethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;ethane

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(N)N(C2=CC(=C(C=C2)CN3CCOCC3)F)C(=N)C(=O)NCC(F)(F)F)C(=O)C=C1OC

DOS

IR

Vibrations