Geometry & MOs

Info

ID:	226854
PubChem CID:	87558629
Reduced:	ClO3C6H11 (1)
Stoich.:	AB3C6D11 (1)
Weight, g/mol:	838.741426
ΔH_f, kcal/mol:	-163.53
Dipole, Da:	5.51
IP(EA), eV:	-10.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-hexatriacontan-18-yloxy-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCC[C@@H]([C@@H](C(=O)O)Cl)O

DOS

IR

Vibrations