Geometry & MOs

Info

ID:	440519
PubChem CID:	135230505
Reduced:	OC22H24 (1)
Stoich.:	AB22C24 (1)
Weight, g/mol:	539.245644
ΔH_f, kcal/mol:	2.82
Dipole, Da:	1.35
IP(EA), eV:	-8.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(5,6-difluoropyridin-3-yl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-2-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCC(C)COC(C1=CC=CC=C1)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations