Geometry & MOs

Info

ID:

440440

PubChem CID:

135230417

Reduced:

FO4N8C30H33 (1)

Stoich.:

AB4C8D30E33 (1)

Weight, g/mol:

572.255875

ΔHf, kcal/mol:

-57.02

Dipole, Da:

4.95

IP(EA), eV:

 -9.46(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NC)C2=NN(C(=C2C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=NC=C4)F)CCOC)C5=CC=CC=C5

DOS

IR

Vibrations