Geometry & MOs

Info

ID:

443376

PubChem CID:

135258754

Reduced:

SO4N5H21C22 (1)

Stoich.:

AB4C5D21E22 (1)

Weight, g/mol:

580.165952

ΔHf, kcal/mol:

-97.11

Dipole, Da:

4.25

IP(EA), eV:

 -8.88(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-chloro-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=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C6=C(C[C@H](CC6)C(=O)O)SC5=NC=N4)CCC3

DOS

IR

Vibrations