Geometry & MOs

Info

ID:	382988
PubChem CID:	134974458
Reduced:	OSN3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	53.73
Dipole, Da:	3.1
IP(EA), eV:	-8.85(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-methyl-1,2-dioxacyclopentadec-7-ene

Drug info:

PubChemData

Smile

CN1C(=O)/C(=C\C2=CC=CC=C2)/N(C1=S)CC3=CC=CC=N3

DOS

IR

Vibrations