Geometry & MOs

Info

ID:

440436

PubChem CID:

135230413

Reduced:

O3F4N7H25C27 (1)

Stoich.:

A3B4C7D25E27 (1)

Weight, g/mol:

605.251043

ΔHf, kcal/mol:

-152.7

Dipole, Da:

3.81

IP(EA), eV:

 -9.27(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,2-dimethyl-3-oxopyridazine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)OC)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CC(F)F

DOS

IR

Vibrations