Geometry & MOs

Info

ID:	431512
PubChem CID:	135171593
Reduced:	ClFO2H10C18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	292.029107
ΔH_f, kcal/mol:	-54.16
Dipole, Da:	4.5
IP(EA), eV:	-8.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C(=C(C=C3)F)C4=C(C=CC(=C4)Cl)O

DOS

IR

Vibrations