Geometry & MOs

Info

ID:

443380

PubChem CID:

135258777

Reduced:

SO3N7C27H31 (1)

Stoich.:

AB3C7D27E31 (1)

Weight, g/mol:

572.25696

ΔHf, kcal/mol:

-59.14

Dipole, Da:

8.77

IP(EA), eV:

 -8.46(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methyl-6-[[(7S)-7-[(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)methyl]-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=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C6=C(C[C@H](CC6)C(=O)N7CC(C7)N)SC5=NC=N4)CCCCC3

DOS

IR

Vibrations