Geometry & MOs

Info

ID:	383504
PubChem CID:	134975260
Reduced:	SiO4C20H30 (1)
Stoich.:	AB4C20D30 (1)
Weight, g/mol:	421.101765
ΔH_f, kcal/mol:	-174.97
Dipole, Da:	1.49
IP(EA), eV:	-8.92(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5S,6R)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbonyl]-3,3-bis(methylsulfanyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(CCC(C#CC(=O)OC)O)C1=CC=CC=C1

DOS

IR

Vibrations