Geometry & MOs

Info

ID:	440457
PubChem CID:	135230434
Reduced:	OSF3N7H16C18 (1)
Stoich.:	ABC3D7E16F18 (1)
Weight, g/mol:	546.239082
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	6.66
IP(EA), eV:	-8.88(-0.86)
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-(4-methoxyphenyl)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2C4=NN=NN4C)OCC(F)(F)F

DOS

IR

Vibrations