Geometry & MOs

Info

ID:	218648
PubChem CID:	85089752
Reduced:	N2F3O5C25H25 (1)
Stoich.:	A2B3C5D25E25 (1)
Weight, g/mol:	490.195131
ΔH_f, kcal/mol:	-326.28
Dipole, Da:	10.24
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12-ethyl-3,5,7,11-tetramethyl-2,8-dioxo-1-oxacyclododec-9-en-4-yl) 3,5-dinitrobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2CC(=O)N(C2=O)CC3=CC(=CC=C3)C(F)(F)F)OC4CCCC4

DOS

IR

Vibrations