Geometry & MOs

Info

ID:

440489

PubChem CID:

135230475

Reduced:

F2O4N6C29H30 (1)

Stoich.:

A2B4C6D29E30 (1)

Weight, g/mol:

572.255875

ΔHf, kcal/mol:

-108.96

Dipole, Da:

8.75

IP(EA), eV:

 -9.14(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxy-N-(2-hydroxy-2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(C=C2)CO)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations