Geometry & MOs

Info

ID:

67429

PubChem CID:

46506463

Reduced:

ClSN4O5H23C26 (1)

Stoich.:

ABC4D5E23F26 (1)

Weight, g/mol:

522.137319

ΔHf, kcal/mol:

-151.38

Dipole, Da:

3.44

IP(EA), eV:

 -9.26(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-[2-(4-fluoroanilino)-2-oxoethyl]-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations