Geometry & MOs

Info

ID:	405939
PubChem CID:	135076037
Reduced:	NOS2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	534.352922
ΔH_f, kcal/mol:	-8.08
Dipole, Da:	2.5
IP(EA), eV:	-8.46(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-11-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S)-3-pentyloxiran-2-yl]undec-1-en-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNCC2(SCCCS2)CC=C

DOS

IR

Vibrations