Geometry & MOs

Info

ID:

432521

PubChem CID:

135172654

Reduced:

O4N6C25H32 (1)

Stoich.:

A4B6C25D32 (1)

Weight, g/mol:

480.259737

ΔHf, kcal/mol:

-100.45

Dipole, Da:

6.3

IP(EA), eV:

 -9.07(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-propan-2-yl-3-[2-[[(1S)-1-[2-[(4-prop-2-enoylpiperazin-1-yl)methyl]pyrimidin-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CN=C(C=C1)OC2CCN(CC2)C(=O)C=C)NC3=NC=CC(=N3)N4[C@H](COC4=O)C(C)C

DOS

IR

Vibrations