Geometry & MOs

Info

ID:	128870
PubChem CID:	51061631
Reduced:	ClN2O4H25C29 (1)
Stoich.:	AB2C4D25E29 (1)
Weight, g/mol:	539.037641
ΔH_f, kcal/mol:	-26.46
Dipole, Da:	3.16
IP(EA), eV:	-8.23(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)OCC4=CC=CC=C4

DOS

IR

Vibrations