Geometry & MOs

Info

ID:

309199

PubChem CID:

126540036

Reduced:

O2N3C14H19 (2)

Stoich.:

A2B3C14D19 (2)

Weight, g/mol:

498.239082

ΔHf, kcal/mol:

-121.02

Dipole, Da:

6.69

IP(EA), eV:

 -9.14(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 4-[[4-[(1S)-1-[(1-ethyl-2-oxo-4H-pyrimido[4,5-d][1,3]oxazin-7-yl)amino]ethyl]-2-fluorophenyl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CN2CC3(C2)CN(C3)C(=O)OC(C)(C)C)NC4=NC=C5COC(=O)N(C5=N4)C(C)C

DOS

IR

Vibrations