Geometry & MOs

Info

ID:

440646

PubChem CID:

135230715

Reduced:

FO4N7C30H32 (1)

Stoich.:

AB4C7D30E32 (1)

Weight, g/mol:

616.235808

ΔHf, kcal/mol:

-62.22

Dipole, Da:

13.23

IP(EA), eV:

 -9.05(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations