Geometry & MOs

Info

ID:

67516

PubChem CID:

46506624

Reduced:

ClS2F3O3N4H18C25 (1)

Stoich.:

AB2C3D3E4F18G25 (1)

Weight, g/mol:

582.116225

ΔHf, kcal/mol:

-184.33

Dipole, Da:

6.49

IP(EA), eV:

 -9.08(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[11-acetyl-4-(3-chloro-4-methylphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=C(C=C(C=C4)F)F)C5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations