Geometry & MOs

Info

ID:	128886
PubChem CID:	51062123
Reduced:	BrSO3N5H12C17 (1)
Stoich.:	ABC3D5E12F17 (1)
Weight, g/mol:	753.86466
ΔH_f, kcal/mol:	40.05
Dipole, Da:	4.27
IP(EA), eV:	-9.1(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N',10-N'-bis[(Z)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]decanedihydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(=O)NN/C=C\3/C=C(C=CC3=O)Br

DOS

IR

Vibrations