Geometry & MOs

Info

ID:

440526

PubChem CID:

135230512

Reduced:

FO4N7C29H34 (1)

Stoich.:

AB4C7D29E34 (1)

Weight, g/mol:

550.21401

ΔHf, kcal/mol:

-85.18

Dipole, Da:

13.31

IP(EA), eV:

 -9.02(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[(5Z)-4-methyl-5-(6-oxopyridin-3-ylidene)-2-phenyl-1H-pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CCN(CC2)C(=O)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations