Geometry & MOs

Info

ID:	16602
PubChem CID:	473591
Reduced:	O5C25H42 (1)
Stoich.:	A5B25C42 (1)
Weight, g/mol:	422.303224
ΔH_f, kcal/mol:	-270.81
Dipole, Da:	4.41
IP(EA), eV:	-9.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadecyl 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O

DOS

IR

Vibrations