Geometry & MOs

Info

ID:

64551

PubChem CID:

29202833

Reduced:

SN2O5C24H28 (1)

Stoich.:

AB2C5D24E28 (1)

Weight, g/mol:

484.10614

ΔHf, kcal/mol:

-151.2

Dipole, Da:

11.89

IP(EA), eV:

 -9.83(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S)-3-ethyl-7-methyl-2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations