Geometry & MOs

Info

ID:

380517

PubChem CID:

134970994

Reduced:

OSiN5C25H31 (1)

Stoich.:

ABC5D25E31 (1)

Weight, g/mol:

560.281882

ΔHf, kcal/mol:

60.32

Dipole, Da:

4.52

IP(EA), eV:

 -9.14(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-[[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methylcarbamoyl]-3-ethoxyprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C[C@H](C4=C3N(N=C4)C)CN=[N+]=[N-]

DOS

IR

Vibrations