Geometry & MOs

Info

ID:

309200

PubChem CID:

126540082

Reduced:

FO4N6C25H31 (1)

Stoich.:

AB4C6D25E31 (1)

Weight, g/mol:

504.284889

ΔHf, kcal/mol:

-150.38

Dipole, Da:

4.91

IP(EA), eV:

 -9.03(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-propan-2-yl-7-[[(1S)-1-[4-[(7-prop-2-enoyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]ethyl]amino]-4H-pyrimido[4,5-d][1,3]oxazin-2-one

Drug info:

PubChemData

Smile

CCN1C2=NC(=NC=C2COC1=O)N[C@@H](C)C3=CC(=C(C=C3)CN4CCN(CC4)C(=O)OCC=C)F

DOS

IR

Vibrations