Geometry & MOs

Info

ID:	392335
PubChem CID:	135014565
Reduced:	ON2C9H14 (1)
Stoich.:	AB2C9D14 (1)
Weight, g/mol:	488.298942
ΔH_f, kcal/mol:	-11.67
Dipole, Da:	2.02
IP(EA), eV:	-8.88(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CN(C)CC1=CN=C(C=C1)OC

DOS

IR

Vibrations