Geometry & MOs

Info

ID:	379110
PubChem CID:	134352409
Reduced:	O10C21H22 (2)
Stoich.:	A10B21C22 (2)
Weight, g/mol:	674.236327
ΔH_f, kcal/mol:	-776.73
Dipole, Da:	5.64
IP(EA), eV:	-9.57(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,5-bis[[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)OC(=O)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)OC(=O)CCC(=O)OCCOC(=O)C=C)C(=O)OC)OC(=O)CCC(=O)OCCOC(=O)C=C

DOS

IR

Vibrations