Geometry & MOs

Info

ID:	155947
PubChem CID:	56368437
Reduced:	BrClN3O3C15H15 (1)
Stoich.:	ABC3D3E15F15 (1)
Weight, g/mol:	414.97569
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	5.46
IP(EA), eV:	-9.21(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-ethylpyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NNC(=O)C2=C(C=C(C=C2)Cl)OC)Br

DOS

IR

Vibrations