Geometry & MOs

Info

ID:

238499

PubChem CID:

92741531

Reduced:

N3O3C25H35 (1)

Stoich.:

A3B3C25D35 (1)

Weight, g/mol:

495.20055

ΔHf, kcal/mol:

-115.55

Dipole, Da:

2.64

IP(EA), eV:

 -8.71(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[(3S)-2-[(2,5-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC=C(N2C[C@@]1(C)C(=O)N[C@@H]3CCC[C@H]([C@@H]3C)C)C4=CC=CO4

DOS

IR

Vibrations