Geometry & MOs

Info

ID:	432450
PubChem CID:	135172583
Reduced:	F3O8C30H35 (1)
Stoich.:	A3B8C30D35 (1)
Weight, g/mol:	516.251189
ΔH_f, kcal/mol:	-463.41
Dipole, Da:	5.0
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(hydroxymethyl)prop-2-enoyloxy]-5-[4-(4-pentylphenyl)phenyl]phenyl] 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)CCCCC(F)(F)F)C2=CC(=CC(=C2)OCOC(=O)C(=C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations