Geometry & MOs

Info

ID:

135483

PubChem CID:

51878726

Reduced:

SO2N3C21H23 (1)

Stoich.:

AB2C3D21E23 (1)

Weight, g/mol:

452.179007

ΔHf, kcal/mol:

18.91

Dipole, Da:

3.85

IP(EA), eV:

 -8.54(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

dimethyl-[3-[2-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]propyl]azanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2CC=C)C3=C(OC=C3)C

DOS

IR

Vibrations