Geometry & MOs

Info

ID:

163490

PubChem CID:

58004341

Reduced:

BPtN2H41C44 (1)

Stoich.:

ABC2D41E44 (1)

Weight, g/mol:

503.196883

ΔHf, kcal/mol:

429.34

Dipole, Da:

7.68

IP(EA), eV:

 -7.21(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2Z)-2-[[7-fluoro-5-methoxy-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]-3-methylurea

Drug info:

PubChemData

Smile

B(C1=CC(=[C-]C2=C1CC3=C2N=C(C=C3)C(C)(C)C4=CC=CC=N4)C5=CC=CC=[C-]5)(C6=C(C=C(C=C6C)C)C)C7=C(C=C(C=C7C)C)C.[Pt+2]

DOS

IR

Vibrations