Geometry & MOs

Info

ID:

440365

PubChem CID:

135230324

Reduced:

F3O3N8H29C30 (1)

Stoich.:

A3B3C8D29E30 (1)

Weight, g/mol:

614.251378

ΔHf, kcal/mol:

-70.06

Dipole, Da:

6.58

IP(EA), eV:

 -8.89(-1.0)

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]-3-methylimidazo[4,5-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C3C(=C2)C=NN3C)C4=CC=C(C=C4)F)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations