Geometry & MOs

Info

ID:

416720

PubChem CID:

135090173

Reduced:

SF2O5N7C35H43 (1)

Stoich.:

AB2C5D7E35F43 (1)

Weight, g/mol:

341.148789

ΔHf, kcal/mol:

-238.64

Dipole, Da:

6.04

IP(EA), eV:

 -9.18(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

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)CC4=C(C=C(C=C4)F)F)C)C)C(C)C

DOS

IR

Vibrations