Geometry & MOs

Info

ID:	127987
PubChem CID:	51025657
Reduced:	BrNO5H12C16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	376.98989
ΔH_f, kcal/mol:	-66.65
Dipole, Da:	6.51
IP(EA), eV:	-9.74(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(1S,2S,3R,4R)-3-[(2-bromo-5-carboxylatophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations