Geometry & MOs

Info

ID:

67430

PubChem CID:

46506467

Reduced:

FSN4O5H23C26 (1)

Stoich.:

ABC4D5E23F26 (1)

Weight, g/mol:

534.157306

ΔHf, kcal/mol:

-187.63

Dipole, Da:

2.91

IP(EA), eV:

 -9.19(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-[2-(4-methoxyanilino)-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=C(C=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations