Geometry & MOs

Info

ID:	183004
PubChem CID:	76968568
Reduced:	SO2C14H14 (2)
Stoich.:	AB2C14D14 (2)
Weight, g/mol:	390.349781
ΔH_f, kcal/mol:	-91.4
Dipole, Da:	2.56
IP(EA), eV:	-8.78(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] hexadecanoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)C2=CSC=C2)C(=O)OC.C[C@@H](C1=CC=C(C=C1)C2=CSC=C2)C(=O)OC

DOS

IR

Vibrations