Geometry & MOs

Info

ID:

435389

PubChem CID:

135191348

Reduced:

N2F3O4C23H25 (1)

Stoich.:

A2B3C4D23E25 (1)

Weight, g/mol:

319.189592

ΔHf, kcal/mol:

-294.8

Dipole, Da:

5.53

IP(EA), eV:

 -8.75(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (E)-2-[C-[(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-methylcarbonimidoyl]iminopent-3-enoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)N2C[C@H]3CC(C[C@H]3C2)C4C=CC=CC4C(F)(F)F)C(=O)O

DOS

IR

Vibrations