Geometry & MOs

Info

ID:	223989
PubChem CID:	85336624
Reduced:	FCl2N5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	426.204239
ΔH_f, kcal/mol:	30.36
Dipole, Da:	2.8
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-6,12-diene-14,2'-oxolane]-9-carboxylate

Drug info:

PubChemData

Smile

C1CC2C(CC1F)C(NN2)NC3=NC(=NC4=CC=CC=C43)C5=C(C=CC=C5Cl)Cl

DOS

IR

Vibrations