Geometry & MOs

Info

ID:	440473
PubChem CID:	135230452
Reduced:	ClOSN4H9C12 (1)
Stoich.:	ABCD4E9F12 (1)
Weight, g/mol:	548.22958
ΔH_f, kcal/mol:	73.58
Dipole, Da:	2.51
IP(EA), eV:	-8.81(-1.24)
Spin(S_z, 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-(5-methoxypyrazin-2-yl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CS(=O)C1=NC2=CC=CC=C2N1C3=NC=NC=C3Cl

DOS

IR

Vibrations