Geometry & MOs

Info

ID:	81630
PubChem CID:	49854942
Reduced:	BrSO3N5H20C29 (1)
Stoich.:	ABC3D5E20F29 (1)
Weight, g/mol:	326.090272
ΔH_f, kcal/mol:	43.0
Dipole, Da:	9.51
IP(EA), eV:	-8.86(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-N'-[(E)-(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1-benzofuran-2-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)S(=O)(=O)C5=CC=CC6=C5N=CC=C6)Br

DOS

IR

Vibrations