Geometry & MOs

Info

ID:	379111
PubChem CID:	134352417
Reduced:	O12C37H38 (1)
Stoich.:	A12B37C38 (1)
Weight, g/mol:	952.336494
ΔH_f, kcal/mol:	-410.25
Dipole, Da:	3.52
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[3-butoxycarbonyl-4-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyphenyl] cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCCOC(=O)C=C

DOS

IR

Vibrations