Geometry & MOs

Info

ID:	380311
PubChem CID:	134970721
Reduced:	Si5O7C52H112 (1)
Stoich.:	A5B7C52D112 (1)
Weight, g/mol:	216.172545
ΔH_f, kcal/mol:	-714.7
Dipole, Da:	3.23
IP(EA), eV:	-8.71(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6R)-2,2-dimethyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-ol

Drug info:

Smile

CC(C)[Si](C(C)C)(C(C)C)OC(C[C@H](C[C@H](C[C@@H](CC=C)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@@H](C[C@@H](CC(CC=C)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations