Geometry & MOs

Info

ID:

440540

PubChem CID:

135230530

Reduced:

ClFON2C10H10 (2)

Stoich.:

ABCD2E10F10 (2)

Weight, g/mol:

614.27653

ΔHf, kcal/mol:

-114.33

Dipole, Da:

5.52

IP(EA), eV:

 -9.11(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CF)C(NCC1=CC(=C(C=C1F)Cl)C2=NC(=O)N(N2)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations