Geometry & MOs

Info

ID:

443367

PubChem CID:

135258743

Reduced:

N5C27H29 (1)

Stoich.:

A5B27C29 (1)

Weight, g/mol:

560.220575

ΔHf, kcal/mol:

109.53

Dipole, Da:

5.87

IP(EA), eV:

 -8.38(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methyl-6-[[(7S)-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-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=C(N=CC=C1)CN2CCN(CC2)CC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations