Geometry & MOs

Info

ID:

134137

PubChem CID:

51650392

Reduced:

SN2O2C16H23 (1)

Stoich.:

AB2C2D16E23 (1)

Weight, g/mol:

308.155849

ΔHf, kcal/mol:

-51.32

Dipole, Da:

4.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763959

Charge, e:

 0

Chem-info

IUPAC name:

13-ethyl-16-hydroxy-12-thia-10,17-diazatetracyclo[8.7.0.03,8.011,15]heptadec-13-en-9-one

Drug info:

PubChemData

Smile

CCC1=CC2C(NC3CC4CCCCC4C(=O)N3C2S1)[O-]

DOS

IR

Vibrations