Geometry & MOs

Info

ID:

443378

PubChem CID:

135258771

Reduced:

SF3O3N7C31H40 (1)

Stoich.:

AB3C3D7E31F40 (1)

Weight, g/mol:

567.181937

ΔHf, kcal/mol:

-257.97

Dipole, Da:

5.61

IP(EA), eV:

 -8.53(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-chloro-6-[[(7S)-7-(3,4-dimethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione

Drug info:

PubChemData

Smile

CCCC(CCNC(=O)C1=C(C=C(C(=O)N1)NC2=C3C4=C(C[C@H](CC4)C(=O)N5CCN([C@@H](C5)C)C)SC3=NC=N2)C)C(F)(F)F

DOS

IR

Vibrations