Geometry & MOs

Info

ID:	162786
PubChem CID:	57570853
Reduced:	YN2O8H11C16 (1)
Stoich.:	AB2C8D11E16 (1)
Weight, g/mol:	185.085938
ΔH_f, kcal/mol:	-134.7
Dipole, Da:	11.45
IP(EA), eV:	-8.26(-3.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-methoxycarbonyl-4-oxopyrrolidin-1-yl]-methylborinic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CC2=CC(=C(C=[C-]2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O.[Y]

DOS

IR

Vibrations