Geometry & MOs

Info

ID:

440641

PubChem CID:

135230692

Reduced:

FO4N9C30H30 (1)

Stoich.:

AB4C9D30E30 (1)

Weight, g/mol:

609.231137

ΔHf, kcal/mol:

-22.94

Dipole, Da:

13.29

IP(EA), eV:

 -9.16(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN3C=C(N=C3C=C2)C(=O)N)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations