Geometry & MOs

Info

ID:

141077

PubChem CID:

52814176

Reduced:

ClSN2O5H21C22 (1)

Stoich.:

ABC2D5E21F22 (1)

Weight, g/mol:

436.14905

ΔHf, kcal/mol:

-168.05

Dipole, Da:

2.0

IP(EA), eV:

 -9.22(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2R)-2-[[(7S)-7-methyl-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

DOS

IR

Vibrations