Geometry & MOs

Info

ID:	161863
PubChem CID:	57392880
Reduced:	SN2O6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-135.93
Dipole, Da:	5.72
IP(EA), eV:	-9.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-3-methylidene-4-[(2-methyl-5-oxocyclopenten-1-yl)methyl]-5-(2-oxopropyl)oxolan-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)N[C@@H]3CC=CCN(C3=O)O

DOS

IR

Vibrations