Geometry & MOs

Info

ID:	380773
PubChem CID:	134971327
Reduced:	O5C23H34 (1)
Stoich.:	A5B23C34 (1)
Weight, g/mol:	446.321622
ΔH_f, kcal/mol:	-195.56
Dipole, Da:	4.6
IP(EA), eV:	-9.38(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,12S,13S)-12-[tert-butyl(dimethyl)silyl]oxy-13-phenylmethoxytetradec-10-en-7-one

Drug info:

PubChemData

Smile

CCCCCCC1(OCCO1)CCC#C[C@@H]([C@H](CO)OCC2=CC=CC=C2)O

DOS

IR

Vibrations