Geometry & MOs

Info

ID:

238505

PubChem CID:

92741586

Reduced:

ClN3O3H26C28 (1)

Stoich.:

AB3C3D26E28 (1)

Weight, g/mol:

487.166269

ΔHf, kcal/mol:

-32.85

Dipole, Da:

3.9

IP(EA), eV:

 -8.71(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=CC=C(N3C[C@]2(C)C(=O)NCC4=CC=C(C=C4)Cl)C5=CC=CO5

DOS

IR

Vibrations