Geometry & MOs

Info

ID:	317357
PubChem CID:	126636706
Reduced:	NC12H21 (1)
Stoich.:	AB12C21 (1)
Weight, g/mol:	568.06279
ΔH_f, kcal/mol:	6.95
Dipole, Da:	2.34
IP(EA), eV:	-9.17(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodosulfanylethyl 2-[(E)-3-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-4-methoxy-6-(methoxymethoxy)benzoate

Drug info:

PubChemData

Smile

CCC(=NC)/C=C\C(=C/C)\C(C)C

DOS

IR

Vibrations