Geometry & MOs

Info

ID:

51532

PubChem CID:

12014215

Reduced:

NSO4C16H18 (2)

Stoich.:

ABC4D16E18 (2)

Weight, g/mol:

576.161346

ΔHf, kcal/mol:

-298.84

Dipole, Da:

5.44

IP(EA), eV:

 -8.66(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-2-[[3-[(3-amino-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methoxy]phenoxy]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC(=CC=C3)OCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCC

DOS

IR

Vibrations