Geometry & MOs

Info

ID:	44864
PubChem CID:	10506222
Reduced:	F2O3N5C28H31 (1)
Stoich.:	A2B3C5D28E31 (1)
Weight, g/mol:	524.25888
ΔH_f, kcal/mol:	-144.52
Dipole, Da:	2.69
IP(EA), eV:	-8.9(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3,10-trimethyl-6-methylidene-4-phenylselanyldodec-9-en-5-ol

Drug info:

PubChemData

Smile

COCC1=C([C@H](NC(=O)N1)C2=CC(=C(C=C2)F)F)C(=O)NCCCN3CCC(CC3)C4=CC=CC=C4C#N

DOS

IR

Vibrations