Geometry & MOs

Info

ID:	218200
PubChem CID:	85089021
Reduced:	O3C29H42 (1)
Stoich.:	A3B29C42 (1)
Weight, g/mol:	438.13908
ΔH_f, kcal/mol:	-158.4
Dipole, Da:	3.58
IP(EA), eV:	-9.33(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(2-ethyl-8-methylsulfanylcarbothioyloxy-9-pentyloxonan-3-yl) methylsulfanylmethanethioate

Drug info:

PubChemData

Smile

CCCC1(C(CCCC1=O)C=CC)C(=O)OC2CC(CCC2C(C)(C)C3=CC=CC=C3)C

DOS

IR

Vibrations