Geometry & MOs

Info

ID:	31833
PubChem CID:	3720760
Reduced:	SCl3N3O5H18C27 (1)
Stoich.:	AB3C3D5E18F27 (1)
Weight, g/mol:	553.08485
ΔH_f, kcal/mol:	-84.1
Dipole, Da:	4.28
IP(EA), eV:	-8.98(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)NS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations