Geometry & MOs

Info

ID:	437406
PubChem CID:	135226215
Reduced:	SO5C12H18 (1)
Stoich.:	AB5C12D18 (1)
Weight, g/mol:	559.214344
ΔH_f, kcal/mol:	-203.69
Dipole, Da:	6.95
IP(EA), eV:	-9.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(6-cyanopyridin-3-yl)-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](CCOC)O

DOS

IR

Vibrations