Geometry & MOs

Info

ID:	39021
PubChem CID:	8138368
Reduced:	ClN3O4C14H14 (1)
Stoich.:	AB3C4D14E14 (1)
Weight, g/mol:	399.98409
ΔH_f, kcal/mol:	-91.94
Dipole, Da:	2.94
IP(EA), eV:	-8.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C(=O)NNC(=O)C2=CC=CN2)Cl)OC

DOS

IR

Vibrations