Geometry & MOs

Info

ID:	275867
PubChem CID:	103818517
Reduced:	BrClON3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	57.49
Dipole, Da:	5.65
IP(EA), eV:	-8.83(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1-ethylpyrazol-4-yl)methylamino]phenyl]ethanesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=C(C=CC(=C2)Br)Cl)C3=NN=CO3

DOS

IR

Vibrations