Geometry & MOs

Info

ID:

443391

PubChem CID:

135258827

Reduced:

ClSO3N6C27H29 (1)

Stoich.:

ABC3D6E27F29 (1)

Weight, g/mol:

595.213237

ΔHf, kcal/mol:

-62.99

Dipole, Da:

7.2

IP(EA), eV:

 -8.71(-1.43)

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'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1)SC3=NC=NC(=C23)NC4=CC(=C5C(=O)NC6(N5C4=O)CCCCC6)Cl)C(=O)N7CCC7

DOS

IR

Vibrations