Geometry & MOs

Info

ID:

443371

PubChem CID:

135258749

Reduced:

SO2N3C13H15 (1)

Stoich.:

AB2C3D13E15 (1)

Weight, g/mol:

547.236559

ΔHf, kcal/mol:

-54.31

Dipole, Da:

4.14

IP(EA), eV:

 -8.68(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(7S)-7-[3-(dimethylamino)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCC2=C(C1)SC3=NC=NC(=C23)N

DOS

IR

Vibrations