Geometry & MOs

Info

ID:	132615
PubChem CID:	51386604
Reduced:	O2N5C25H46 (1)
Stoich.:	A2B5C25D46 (1)
Weight, g/mol:	487.186912
ΔH_f, kcal/mol:	-120.94
Dipole, Da:	3.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758239
Charge, e:	-1

Chem-info

IUPAC name:

[(3R)-1-ethyl-2,4',5'-trioxo-1'-[[(2R)-oxolan-2-yl]methyl]spiro[indole-3,2'-pyrrolidine]-3'-ylidene]-(4-prop-2-enoxyphenyl)methanolate

Drug info:

PubChemData

Smile

CCCC[NH+]1C(C(CC2C1NC3C(CCCN3C2=O)C)C(=O)N[C@H](C)C4CCCCC4)N

DOS

IR

Vibrations