Geometry & MOs

Info

ID:	128052
PubChem CID:	51028807
Reduced:	NO3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	367.96891
ΔH_f, kcal/mol:	-72.14
Dipole, Da:	5.2
IP(EA), eV:	-9.58(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2C[C@H]3[C@H]1[C@H]([C@H]2C(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5)C(=O)O3

DOS

IR

Vibrations