Geometry & MOs

Info

ID:	231183
PubChem CID:	87572892
Reduced:	S2N3H11C15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	262.060801
ΔH_f, kcal/mol:	122.9
Dipole, Da:	2.17
IP(EA), eV:	-6.96(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-acetyloxy-7-chloro-5-oxohept-6-enoate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C\2=CC=C[N+](=S)/C2=C\3/C=CC=CN3[S-]

DOS

IR

Vibrations