Geometry & MOs

Info

ID:

53607

PubChem CID:

14716917

Reduced:

ON2S4H18C27 (1)

Stoich.:

AB2C4D18E27 (1)

Weight, g/mol:

593.994875

ΔHf, kcal/mol:

133.16

Dipole, Da:

1.66

IP(EA), eV:

 -8.36(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[5-[5-[(2E)-2-(1,3,6-trioxobenzo[de]isoquinolin-5-ylidene)hydrazinyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)N/N=C/5\C(=O)C=CC6=CC=CC=C65

DOS

IR

Vibrations