Geometry & MOs

Info

ID:	53611
PubChem CID:	14716969
Reduced:	O2S3N4H24C38 (1)
Stoich.:	A2B3C4D24E38 (1)
Weight, g/mol:	726.044996
ΔH_f, kcal/mol:	180.74
Dipole, Da:	2.75
IP(EA), eV:	-8.3(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[5-[5-[5-[(2E)-2-(1,3,6-trioxobenzo[de]isoquinolin-5-ylidene)hydrazinyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hydrazinylidene]benzo[de]isoquinoline-1,3,6-trione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C\2=C(C3=CC=CC=C31)C=CC(=O)/C2=N\NC4=CC=C(S4)C5=CC=C(S5)C6=CC=C(S6)N/N=C/7\C(=O)C=CC8=C7CC9=CC=CC=C89

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C\2=C(C3=CC=CC=C31)C=CC(=O)/C2=N\NC4=CC=C(S4)C5=CC=C(S5)C6=CC=C(S6)N/N=C/7\C(=O)C=CC8=C7CC9=CC=CC=C89

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):