Geometry & MOs

Info

ID:

440579

PubChem CID:

135230576

Reduced:

F2O4N8C33H38 (1)

Stoich.:

A2B4C8D33E38 (1)

Weight, g/mol:

575.240479

ΔHf, kcal/mol:

-98.55

Dipole, Da:

7.74

IP(EA), eV:

 -8.66(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenyl-N-(pyrimidin-5-ylmethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)OC3CCN(CC3)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations