Geometry & MOs

Info

ID:

443390

PubChem CID:

135258810

Reduced:

ClSO3N7H24C26 (1)

Stoich.:

ABC3D7E24F26 (1)

Weight, g/mol:

552.171038

ΔHf, kcal/mol:

-16.16

Dipole, Da:

9.54

IP(EA), eV:

 -8.67(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[7-(azetidine-1-carbonyl)-7-methyl-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

C1CCC2(C1)NC(=O)C3=C(C=C(C(=O)N23)NC4=C5C6=C(C[C@H](CC6)C(=O)N7CC(C7)C#N)SC5=NC=N4)Cl

DOS

IR

Vibrations