Geometry & MOs

Info

ID:	82192
PubChem CID:	49855742
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	311.19167
ΔH_f, kcal/mol:	-30.76
Dipole, Da:	2.66
IP(EA), eV:	-9.4(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanenitrile

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](CCC12OCCO2)[C@@]34CC(=O)C[C@@](O3)(C=C4)CCCC=C)CC=C

DOS

IR

Vibrations