Geometry & MOs

Info

ID:

133408

PubChem CID:

51522269

Reduced:

NO3H14C17 (1)

Stoich.:

AB3C14D17 (1)

Weight, g/mol:

364.10074

ΔHf, kcal/mol:

-29.97

Dipole, Da:

5.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758362

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\C(=O)C(=O)NC2=CC=CC=C2)/[O-]

DOS

IR

Vibrations