Geometry & MOs

Info

ID:

238493

PubChem CID:

92741500

Reduced:

N3O4C26H31 (1)

Stoich.:

A3B4C26D31 (1)

Weight, g/mol:

439.283492

ΔHf, kcal/mol:

-105.69

Dipole, Da:

6.25

IP(EA), eV:

 -8.71(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@]2(CN3C(=CC=C3C(=O)N2CC4=CC=CO4)C5=CC=CO5)C

DOS

IR

Vibrations