Geometry & MOs

Info

ID:

440497

PubChem CID:

135230483

Reduced:

O3N6C23H30 (1)

Stoich.:

A3B6C23D30 (1)

Weight, g/mol:

555.220572

ΔHf, kcal/mol:

-34.84

Dipole, Da:

4.67

IP(EA), eV:

 -8.53(-0.46)

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-[2-(3-fluorophenyl)-4-methyl-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CC(O1)CCOC)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CN(N=C4)C)C

DOS

IR

Vibrations