Geometry & MOs

Info

ID:

440555

PubChem CID:

135230552

Reduced:

FO5N8C34H39 (1)

Stoich.:

AB5C8D34E39 (1)

Weight, g/mol:

602.27653

ΔHf, kcal/mol:

-109.94

Dipole, Da:

7.58

IP(EA), eV:

 -9.48(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-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

CC1=CC(=CN=C1C(=O)NC2CCOCC2)C3=NN(C(=C3C)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC)C6=CC=CC=C6

DOS

IR

Vibrations