Geometry & MOs

Info

ID:

440611

PubChem CID:

135230625

Reduced:

F2O4N7C31H33 (1)

Stoich.:

A2B4C7D31E33 (1)

Weight, g/mol:

572.255875

ΔHf, kcal/mol:

-93.74

Dipole, Da:

6.08

IP(EA), eV:

 -9.15(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations