Geometry & MOs

Info

ID:

162874

PubChem CID:

57578211

Reduced:

SO3N4C62H62 (1)

Stoich.:

AB3C4D62E62 (1)

Weight, g/mol:

773.271213

ΔHf, kcal/mol:

47.7

Dipole, Da:

5.79

IP(EA), eV:

 -8.08(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]thiophen-2-yl]methylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(S5)/C=C\6/C(=NN(C6=O)C7=CC=NC=C7)C(=O)O)C8=CC9=C(C=C8)C1=CC=CC=C1C9(CCCC)CCCC)CCCC

DOS

IR

Vibrations