Geometry & MOs

Info

ID:

419464

PubChem CID:

135108245

Reduced:

SF2N7O7C36H43 (1)

Stoich.:

AB2C7D7E36F43 (1)

Weight, g/mol:

372.227374

ΔHf, kcal/mol:

-325.58

Dipole, Da:

5.68

IP(EA), eV:

 -9.28(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R)-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)COC4=C(C=C(C=C4)F)F)C)C)C(C)C

DOS

IR

Vibrations