Geometry & MOs

Info

ID:

87004

PubChem CID:

49890450

Reduced:

FSN3O8H18C25 (1)

Stoich.:

ABC3D8E18F25 (1)

Weight, g/mol:

513.152241

ΔHf, kcal/mol:

-120.35

Dipole, Da:

6.47

IP(EA), eV:

 -9.69(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations