Geometry & MOs

Info

ID:	397887
PubChem CID:	135030912
Reduced:	SiO4C31H42 (1)
Stoich.:	AB4C31D42 (1)
Weight, g/mol:	464.274672
ΔH_f, kcal/mol:	-173.04
Dipole, Da:	4.11
IP(EA), eV:	-8.94(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol

Drug info:

PubChemData

Smile

CCCCCC#C[C@@H]([C@@H](/C=C/CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)OC(=O)C)O

DOS

IR

Vibrations