Geometry & MOs

Info

ID:	380711
PubChem CID:	134971239
Reduced:	IS2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	513.258266
ΔH_f, kcal/mol:	-11.3
Dipole, Da:	1.94
IP(EA), eV:	-8.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4S)-2-tert-butyl-3-formyl-4-[(E)-7-(2-hexyl-1,3-dithiolan-2-yl)hept-4-enoyl]-1,3-oxazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC1(SCCS1)CC/C=C/I

DOS

IR

Vibrations