Geometry & MOs

Info

ID:	391636
PubChem CID:	135007415
Reduced:	SO5C15H20 (1)
Stoich.:	AB5C15D20 (1)
Weight, g/mol:	310.120509
ΔH_f, kcal/mol:	-191.36
Dipole, Da:	1.96
IP(EA), eV:	-9.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S,5R)-5-benzoyl-4-(furan-2-yl)cyclopentene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/[C@@H](CCC(=O)OC)SCC1=CC=CO1

DOS

IR

Vibrations