Geometry & MOs

Info

ID:	393534
PubChem CID:	135020908
Reduced:	ON2H14C18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	519.159674
ΔH_f, kcal/mol:	13.79
Dipole, Da:	2.07
IP(EA), eV:	-8.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-3,4,5-triacetyloxy-6-[cyclopropylmethyl(propyl)carbamothioyl]sulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CC2=C3C(=CC=C2)C4=C(C(=O)N3C1)NC5=CC=CC=C54

DOS

IR

Vibrations