Geometry & MOs

Info

ID:

440600

PubChem CID:

135230602

Reduced:

F2O4N7C30H31 (1)

Stoich.:

A2B4C7D30E31 (1)

Weight, g/mol:

628.267028

ΔHf, kcal/mol:

-94.36

Dipole, Da:

8.32

IP(EA), eV:

 -8.5(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[5-[[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(C(=C2)F)OCCN3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations