Geometry & MOs

Info

ID:	64720
PubChem CID:	29203907
Reduced:	ClFSN3O4C19H21 (1)
Stoich.:	ABCD3E4F19G21 (1)
Weight, g/mol:	485.04202
ΔH_f, kcal/mol:	-122.65
Dipole, Da:	8.49
IP(EA), eV:	-8.98(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)Cl

DOS

IR

Vibrations