Geometry & MOs

Info

ID:

13914

PubChem CID:

399946

Reduced:

S2F3O3N4H15C19 (1)

Stoich.:

A2B3C3D4E15F19 (1)

Weight, g/mol:

468.053767

ΔHf, kcal/mol:

-205.51

Dipole, Da:

3.26

IP(EA), eV:

 -8.88(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-methylsulfanyl-11-oxo-9-[3-(trifluoromethyl)phenyl]-3-thia-5,7,9,12-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CC(=O)N2)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations