Geometry & MOs

Info

ID:

432536

PubChem CID:

135172669

Reduced:

F3O8C35H43 (1)

Stoich.:

A3B8C35D43 (1)

Weight, g/mol:

473.217538

ΔHf, kcal/mol:

-475.22

Dipole, Da:

3.81

IP(EA), eV:

 -9.15(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]pyrimidin-5-yl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2CCC(CC2)CCCCC(F)(F)F)C3=CC(=C(C=C3)OCOC(=O)C(=C)CO)OCOC(=O)C(=C)CO

DOS

IR

Vibrations