Geometry & MOs

Info

ID:	424308
PubChem CID:	135122157
Reduced:	NOSC5H9 (1)
Stoich.:	ABCD5E9 (1)
Weight, g/mol:	430.163
ΔH_f, kcal/mol:	-24.33
Dipole, Da:	5.03
IP(EA), eV:	-9.44(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3S,5S,6S,9S,18R)-6-hydroxy-18-(methoxymethyl)-1,5-dimethyl-11,16-dioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C#N)C(OC)S

DOS

IR

Vibrations