Geometry & MOs

Info

ID:	440420
PubChem CID:	135230397
Reduced:	ClSN4H9C12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	601.292514
ΔH_f, kcal/mol:	102.38
Dipole, Da:	1.26
IP(EA), eV:	-8.7(-1.35)
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-[4-methyl-2-phenyl-5-(6-piperazin-1-ylpyridin-3-yl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CSC1=NC2=CC=CC=C2N1C3=NC=NC=C3Cl

DOS

IR

Vibrations