Geometry & MOs

Info

ID:	446232
PubChem CID:	135273316
Reduced:	F2O2C31H48 (1)
Stoich.:	A2B2C31D48 (1)
Weight, g/mol:	516.214803
ΔH_f, kcal/mol:	-264.26
Dipole, Da:	2.05
IP(EA), eV:	-9.55(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxobutan-2-yl 4-[4-[4-(1-butoxy-1-oxopropan-2-yl)oxycarbonylphenyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(COC(=O)C3CCC(CC3)CCCCC)(F)F

DOS

IR

Vibrations