Geometry & MOs

Info

ID:

419436

PubChem CID:

135108182

Reduced:

ClFN6O6C32H40 (1)

Stoich.:

ABC6D6E32F40 (1)

Weight, g/mol:

345.18009

ΔHf, kcal/mol:

-274.88

Dipole, Da:

5.62

IP(EA), eV:

 -9.4(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2,6-dimethyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=C(C=CC=C2Cl)F)C)CC3=CC=CC=C3

DOS

IR

Vibrations