Geometry & MOs

Info

ID:

127998

PubChem CID:

51026128

Reduced:

NO3H12C15 (2)

Stoich.:

AB3C12D15 (2)

Weight, g/mol:

401.12681

ΔHf, kcal/mol:

-92.8

Dipole, Da:

3.41

IP(EA), eV:

 -8.71(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(1S,2S,3S,4R)-3-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2C(=NO4)C5=CC=C(C=C5)OCC6=CC=CC=C6)C(=O)N(C3=O)C7=CC8=C(C=C7)OCO8

DOS

IR

Vibrations