Geometry & MOs

Info

ID:	382312
PubChem CID:	134973384
Reduced:	NSO2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-29.69
Dipole, Da:	7.28
IP(EA), eV:	-8.96(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3S)-3-acetyloxy-2-methylidenecyclopentyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(S2)C(=CC(=O)N3)O

DOS

IR

Vibrations