Geometry & MOs

Info

ID:

432668

PubChem CID:

135172804

Reduced:

O3N7C28H35 (1)

Stoich.:

A3B7C28D35 (1)

Weight, g/mol:

534.24131

ΔHf, kcal/mol:

-32.74

Dipole, Da:

3.53

IP(EA), eV:

 -8.32(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C=C)NC3=NC4=C(C(=N3)N5[C@H](COC5=O)C(C)C)NC=C4

DOS

IR

Vibrations