Geometry & MOs

Info

ID:	46200
PubChem CID:	10523070
Reduced:	ON2S2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	368.29266
ΔH_f, kcal/mol:	65.59
Dipole, Da:	5.51
IP(EA), eV:	-8.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[(4R,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CS[C@]([C@H]2/C=C/C3=CC=CC=C3)(C#N)SC

DOS

IR

Vibrations