Geometry & MOs

Info

ID:	305018
PubChem CID:	124766432
Reduced:	BrFNO3C23H23 (1)
Stoich.:	ABCD3E23F23 (1)
Weight, g/mol:	329.126323
ΔH_f, kcal/mol:	-130.97
Dipole, Da:	4.05
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S,4R)-3-[2-carboxyethyl(phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)[C@H]1[C@H](C(=C(C[C@]1(C)O)NC2=CC=C(C=C2)Br)C(=O)C)C3=CC(=CC=C3)F

DOS

IR

Vibrations