Geometry & MOs

Info

ID:

443353

PubChem CID:

135258688

Reduced:

SO4N5C24H25 (1)

Stoich.:

AB4C5D24E25 (1)

Weight, g/mol:

547.236559

ΔHf, kcal/mol:

-120.2

Dipole, Da:

7.4

IP(EA), eV:

 -8.72(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(7S)-7-[3-(dimethylamino)pyrrolidine-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'-cyclobutane]-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)CCCCC3

DOS

IR

Vibrations