Geometry & MOs

Info

ID:

53612

PubChem CID:

14716972

Reduced:

SN2O2H6C12 (3)

Stoich.:

AB2C2D6E12 (3)

Weight, g/mol:

840.164717

ΔHf, kcal/mol:

9.02

Dipole, Da:

2.75

IP(EA), eV:

 -9.01(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[[5-[5-[4-methyl-5-[(2Z)-2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C/C(=N\NC4=CC=C(S4)C5=CC=C(S5)C6=CC=C(S6)N/N=C\7/C(=O)C8=C9C(=C7)C(=O)NC(=O)C9=CC=C8)/C2=O)C(=O)NC(=O)C3=C1

DOS

IR

Vibrations