Geometry & MOs

Info

ID:	39000
PubChem CID:	8138320
Reduced:	BrO3N4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	336.089226
ΔH_f, kcal/mol:	-55.61
Dipole, Da:	1.51
IP(EA), eV:	-9.46(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CCNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations