Geometry & MOs

Info

ID:	230847
PubChem CID:	87572131
Reduced:	ClSF2N3O3H14C18 (1)
Stoich.:	ABC2D3E3F14G18 (1)
Weight, g/mol:	353.99642
ΔH_f, kcal/mol:	-93.95
Dipole, Da:	3.56
IP(EA), eV:	-9.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC=NN1C[C@]2([C@H](O2)C3=CC=CC=C3Cl)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations