Geometry & MOs

Info

ID:	440537
PubChem CID:	135230523
Reduced:	NC10H19 (1)
Stoich.:	AB10C19 (1)
Weight, g/mol:	545.244976
ΔH_f, kcal/mol:	35.15
Dipole, Da:	1.82
IP(EA), eV:	-8.79(1.71)
Spin(S_z, 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-[5-(2-hydroxy-2-methylpropoxy)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCC1(C2C1C2NCC)CC

DOS

IR

Vibrations