Geometry & MOs

Info

ID:	132559
PubChem CID:	51378356
Reduced:	O2F4N4H14C19 (1)
Stoich.:	A2B4C4D14E19 (1)
Weight, g/mol:	458.04032
ΔH_f, kcal/mol:	-165.89
Dipole, Da:	6.86
IP(EA), eV:	-9.47(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(2R)-2-(3-bromophenyl)-4,5-dioxo-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate

Drug info:

PubChemData

Smile

C1[C@H](N2C(=NC=N2)N=C1C3=CC=CC=C3OC(F)F)C4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations