Geometry & MOs

Info

ID:	382053
PubChem CID:	134972966
Reduced:	SN5O7C16H23 (1)
Stoich.:	AB5C7D16E23 (1)
Weight, g/mol:	256.185857
ΔH_f, kcal/mol:	-226.42
Dipole, Da:	6.24
IP(EA), eV:	-9.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dien-1-ol

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C(O[C@H](C(C1NC(=O)OC(C)(C)C)OC(=O)C)N=C=S)CN=[N+]=[N-]

DOS

IR

Vibrations