Geometry & MOs

Info

ID:	144395
PubChem CID:	53360910
Reduced:	Si2O7C39H72 (1)
Stoich.:	A2B7C39D72 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-501.95
Dipole, Da:	5.16
IP(EA), eV:	-9.12(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3R)-2,6-dimethylundec-6-en-10-yne-2,3-diol

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@@H](CCC(=C)[C@H]1CC[C@@H]2[C@@](O1)(CC[C@@H](O2)[C@@]3(CCC(=O)O3)C)C)[C@]4(CC[C@@H](O4)C(C)(C)O[Si](CC)(CC)CC)C

DOS

IR

Vibrations