Geometry & MOs

Info

ID:	305101
PubChem CID:	124766525
Reduced:	NF3O3H14C16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	360.01095
ΔH_f, kcal/mol:	-236.9
Dipole, Da:	6.87
IP(EA), eV:	-9.75(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@@H]1[C@H]([C@@H]2C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations