Geometry & MOs

Info

ID:	399361
PubChem CID:	135039818
Reduced:	PO2C26H34 (1)
Stoich.:	AB2C26D34 (1)
Weight, g/mol:	302.191336
ΔH_f, kcal/mol:	-23.52
Dipole, Da:	7.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.941946
Charge, e:	0

Chem-info

IUPAC name:

4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)[P+](C1=CC=CC=C1)([C@H](C)C2C=CC=C2)[C@H](C)C3C=CC=C3

DOS

IR

Vibrations