Geometry & MOs

Info

ID:	156194
PubChem CID:	56369467
Reduced:	SN3O5C26H27 (1)
Stoich.:	AB3C5D26E27 (1)
Weight, g/mol:	467.05144
ΔH_f, kcal/mol:	-146.64
Dipole, Da:	9.15
IP(EA), eV:	-8.95(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-2,5-dimethylpyrrole-3-carbohydrazide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)C3=C(C=CC(=C3)CC4=CC=CC=C4)O

DOS

IR

Vibrations