Geometry & MOs

Info

ID:	218093
PubChem CID:	85088859
Reduced:	F2N2O5H18C22 (1)
Stoich.:	A2B2C5D18E22 (1)
Weight, g/mol:	428.168247
ΔH_f, kcal/mol:	-204.96
Dipole, Da:	5.36
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4,5-triacetyloxy-3,6-bis(prop-2-enoxy)cyclohexyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C(=C(C#N)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC4=C(C=C3)OC(O4)(F)F

DOS

IR

Vibrations