Geometry & MOs

Info

ID:	314271
PubChem CID:	126621119
Reduced:	SC18H38 (1)
Stoich.:	AB18C38 (1)
Weight, g/mol:	512.241018
ΔH_f, kcal/mol:	-88.22
Dipole, Da:	2.11
IP(EA), eV:	-8.69(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3R,4S)-4-acetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CCCCCCC(CCCCCC)C(C(C)(C)C)S

DOS

IR

Vibrations