Geometry & MOs

Info

ID:

432538

PubChem CID:

135172671

Reduced:

N4C13H15 (2)

Stoich.:

A4B13C15 (2)

Weight, g/mol:

502.244087

ΔHf, kcal/mol:

146.09

Dipole, Da:

7.81

IP(EA), eV:

 -8.31(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=N1)N(C)C2=CC=C(C=C2)NC(=C)C=C)NC3=NC=CC(=N3)N4CCCC4=C

DOS

IR

Vibrations