Geometry & MOs

Info

ID:	402388
PubChem CID:	135055792
Reduced:	SN2F3O6C19H19 (1)
Stoich.:	AB2C3D6E19F19 (1)
Weight, g/mol:	338.188195
ΔH_f, kcal/mol:	-376.55
Dipole, Da:	9.43
IP(EA), eV:	-9.14(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-benzoyl-5-hept-1-ynylcyclopentene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1([C@@H](NC(=S)O1)C(=O)N2C(=O)OCC2(C)C)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations