Geometry & MOs

Info

ID:

440492

PubChem CID:

135230478

Reduced:

FO4N7H28C29 (1)

Stoich.:

AB4C7D28E29 (1)

Weight, g/mol:

508.184601

ΔHf, kcal/mol:

-16.07

Dipole, Da:

9.64

IP(EA), eV:

 -9.11(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-methyl-2-phenyl-4-(trifluoromethyl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C3C(=C2)C=CO3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations