Geometry & MOs

Info

ID:	324440
PubChem CID:	126677677
Reduced:	OSN2C4H8 (1)
Stoich.:	ABC2D4E8 (1)
Weight, g/mol:	545.259328
ΔH_f, kcal/mol:	-24.4
Dipole, Da:	3.6
IP(EA), eV:	-8.57(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6R,9S,12R,13S)-12-butan-2-yl-9-[(but-3-enyldisulfanyl)methyl]-6-butyl-13-hydroxy-2-methyl-1-oxa-5,8,11-triazacyclopentadecane-4,7,10,15-tetrone

Drug info:

PubChemData

Smile

CSCC(=O)N=CN

DOS

IR

Vibrations