Geometry & MOs

Info

ID:	81127
PubChem CID:	49854380
Reduced:	ClSN3O5C25H26 (1)
Stoich.:	ABC3D5E25F26 (1)
Weight, g/mol:	559.07765
ΔH_f, kcal/mol:	-124.55
Dipole, Da:	9.97
IP(EA), eV:	-8.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-methoxy-N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations