Geometry & MOs

Info

ID:

162855

PubChem CID:

57578119

Reduced:

SN2O3C60H60 (1)

Stoich.:

AB2C3D60E60 (1)

Weight, g/mol:

849.284852

ΔHf, kcal/mol:

32.04

Dipole, Da:

7.97

IP(EA), eV:

 -7.98(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;4-[(4Z)-4-[[4-[bis(9,9-diethylfluoren-2-yl)amino]phenyl]methylidene]-3-carboxy-5-oxopyrazol-1-yl]benzenesulfonate

Drug info:

PubChemData

Smile

CCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(S5)C6=CC=C(O6)/C=C(\C#N)/C(=O)O)C7=CC8=C(C=C7)C9=CC=CC=C9C8(CCCC)CCCC)CCCC

DOS

IR

Vibrations