Geometry & MOs

Info

ID:

432567

PubChem CID:

135172700

Reduced:

O3N4C32H34 (1)

Stoich.:

A3B4C32D34 (1)

Weight, g/mol:

543.205259

ΔHf, kcal/mol:

8.16

Dipole, Da:

6.99

IP(EA), eV:

 -8.29(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[6-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]pyridin-3-yl]amino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C/C/1=C\NC=NC(C2=CC=CC=C12)CC(C3CCN(CC3)C(=O)COC4=CC5=C(C=C4)NC6=CC=CC=C65)O

DOS

IR

Vibrations