Geometry & MOs

Info

ID:	137124
PubChem CID:	52155281
Reduced:	FNO5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	408.144712
ΔH_f, kcal/mol:	-180.71
Dipole, Da:	5.38
IP(EA), eV:	-8.44(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-1-methyl-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@H]2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2C)OCC

DOS

IR

Vibrations