Geometry & MOs

Info

ID:

238486

PubChem CID:

92741473

Reduced:

FN3O3C27H30 (1)

Stoich.:

AB3C3D27E30 (1)

Weight, g/mol:

489.262757

ΔHf, kcal/mol:

-112.78

Dipole, Da:

7.11

IP(EA), eV:

 -8.75(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-[(1R,2S)-2-methylcyclohexyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@]2(CN3C(=CC=C3C(=O)N2CC4=CC=CC=C4F)C5=CC=CO5)C

DOS

IR

Vibrations