Geometry & MOs

Info

ID:

127975

PubChem CID:

51025486

Reduced:

NO5C19H23 (2)

Stoich.:

AB5C19D23 (2)

Weight, g/mol:

331.097521

ΔHf, kcal/mol:

-332.46

Dipole, Da:

7.04

IP(EA), eV:

 -8.24(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,3S,4R)-3-[(4-chlorophenyl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C([C@H]3/C(=C\C4=CC(=C(C(=C4OC)C)OC)OC)/N(C(=O)[C@H](C2)N3C(=O)OC(C)C)CC5=CC=C(C=C5)OC)C(=C1OC)OC)OC

DOS

IR

Vibrations