Geometry & MOs

Info

ID:	446233
PubChem CID:	135273317
Reduced:	O7C31H32 (1)
Stoich.:	A7B31C32 (1)
Weight, g/mol:	686.381869
ΔH_f, kcal/mol:	-251.13
Dipole, Da:	4.79
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-octan-2-yloxy-1-oxopropan-2-yl) 4-[4-[4-(1-octan-2-yloxy-1-oxopropan-2-yl)oxycarbonylphenyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C)C(=O)C

DOS

IR

Vibrations