Geometry & MOs

Info

ID:

437492

PubChem CID:

135226417

Reduced:

F3O3N9C29H30 (1)

Stoich.:

A3B3C9D29E30 (1)

Weight, g/mol:

629.287429

ΔHf, kcal/mol:

-79.66

Dipole, Da:

10.52

IP(EA), eV:

 -8.99(-0.92)

Spin(Sz, 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-[4-methyl-5-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CC(C3)(F)F)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations