Geometry & MOs

Info

ID:	223564
PubChem CID:	85335244
Reduced:	O3C28H46 (1)
Stoich.:	A3B28C46 (1)
Weight, g/mol:	432.272318
ΔH_f, kcal/mol:	-186.83
Dipole, Da:	4.25
IP(EA), eV:	-8.67(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-ethyl-4,7,8,12-tetrahydroxy-9-(hydroxymethyl)-3,5,6,7,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

Drug info:

PubChemData

Smile

CC(C)C(C)(CCC(C)C1CCC2C1(CCC(=CC=C3CC(CC(C3=C)O)O)C2)C)O

DOS

IR

Vibrations