Geometry & MOs

Info

ID:

437462

PubChem CID:

135226387

Reduced:

FO3N10C30H35 (1)

Stoich.:

AB3C10D30E35 (1)

Weight, g/mol:

628.303413

ΔHf, kcal/mol:

9.38

Dipole, Da:

9.32

IP(EA), eV:

 -8.56(-0.78)

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-methyl-3,6-diazabicyclo[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)N3CCNCC3)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations