Geometry & MOs

Info

ID:

443375

PubChem CID:

135258753

Reduced:

SO4N5C24H25 (1)

Stoich.:

AB4C5D24E25 (1)

Weight, g/mol:

451.131425

ΔHf, kcal/mol:

-106.33

Dipole, Da:

4.63

IP(EA), eV:

 -8.6(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S)-4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCC2=C(C1)SC3=NC=NC(=C23)NC4=CC(=C5C(=O)NC6(N5C4=O)CCC6)C

DOS

IR

Vibrations