Geometry & MOs

Info

ID:

437497

PubChem CID:

135226422

Reduced:

FO4N9C32H36 (1)

Stoich.:

AB4C9D32E36 (1)

Weight, g/mol:

615.271779

ΔHf, kcal/mol:

-42.09

Dipole, Da:

10.82

IP(EA), eV:

 -8.34(-0.61)

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-[(1S,5R)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]pyrimidin-5-yl]-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3C[C@H]4CC[C@@H](C3)O4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations