Geometry & MOs

Info

ID:	230758
PubChem CID:	87571941
Reduced:	NSO5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	280.24023
ΔH_f, kcal/mol:	-178.59
Dipole, Da:	9.22
IP(EA), eV:	-8.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1Z,3S)-3-methylcyclopentadecen-1-yl] acetate

Drug info:

PubChemData

Smile

CC1C(COC(O1)(C)C(=O)O)CCCCO/N=C(\C)/C2=CC=C(C=C2)SC

DOS

IR

Vibrations