Geometry & MOs

Info

ID:

53608

PubChem CID:

14716922

Reduced:

O3N4S4H14C29 (1)

Stoich.:

A3B4C4D14E29 (1)

Weight, g/mol:

634.026175

ΔHf, kcal/mol:

103.12

Dipole, Da:

1.83

IP(EA), eV:

 -9.15(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[5-[5-(4-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hydrazinyl]benzo[a]carbazol-2-one

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C(=O)NC(=O)C3=C/C(=N\NC4=CC=C(S4)C5=CC=C(S5)C6=CC=C(S6)C7=CC(=CS7)C#N)/C2=O

DOS

IR

Vibrations