Geometry & MOs

Info

ID:

443526

PubChem CID:

135259255

Reduced:

SO3N6C28H32 (1)

Stoich.:

AB3C6D28E32 (1)

Weight, g/mol:

451.142659

ΔHf, kcal/mol:

-45.45

Dipole, Da:

7.25

IP(EA), eV:

 -9.05(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)/C=C/C4=C5C=C(SC5=NC=N4)C(=O)N6CC[C@@H](C6)N(C)C)CCCCC3

DOS

IR

Vibrations