Geometry & MOs

Info

ID:

443530

PubChem CID:

135259261

Reduced:

SO4N6H22C23 (1)

Stoich.:

AB4C6D22E23 (1)

Weight, g/mol:

492.157974

ΔHf, kcal/mol:

-59.09

Dipole, Da:

4.51

IP(EA), eV:

 -8.94(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethenyl-4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]-N-[[(2R)-oxetan-2-yl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=C(SC5=NC=N4)C(=O)N6C[C@H]7C[C@@H]6CO7)CCC3

DOS

IR

Vibrations