Geometry & MOs

Info

ID:	440388
PubChem CID:	135230347
Reduced:	NO3C8H16 (2)
Stoich.:	AB3C8D16 (2)
Weight, g/mol:	558.250315
ΔH_f, kcal/mol:	-270.91
Dipole, Da:	6.33
IP(EA), eV:	-9.05(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2-cyclopropylpyrimidin-5-yl)-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(2-fluoropyridin-4-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC(C)NCCOCCOCCOCCNC(=O)COCC(=O)C

DOS

IR

Vibrations