Geometry & MOs

Info

ID:	159750
PubChem CID:	57288702
Reduced:	PN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	272.149798
ΔH_f, kcal/mol:	-140.86
Dipole, Da:	8.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756307
Charge, e:	1

Chem-info

IUPAC name:

(2R)-2-methyl-1-[3-[(2-methylpropan-2-yl)oxy]-2,3-dioxopropyl]pyrrolidin-1-ium-1-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H](NCC(=C[P+](CC2=CC=CC=C2)(O)O)O1)C3=CC(=O)NC=C3

DOS

IR

Vibrations