Geometry & MOs

Info

ID:	233493
PubChem CID:	90944863
Reduced:	N2O7C27H30 (1)
Stoich.:	A2B7C27D30 (1)
Weight, g/mol:	595.217937
ΔH_f, kcal/mol:	-199.6
Dipole, Da:	5.75
IP(EA), eV:	-9.44(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

ethane;2-[1-[2-(2-hydroxy-5-methyl-4-oxohex-5-enoxy)carbonylbenzoyl]oxy-5-methyl-4-oxohex-5-en-2-yl]oxycarbonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C(=O)OC)C(C=CCC2=NN=C(O2)C)C3=CC(=C(C(=C3)C)OC)C(=O)OC

DOS

IR

Vibrations