Geometry & MOs

Info

ID:	81415
PubChem CID:	49854700
Reduced:	SCl2O4N5H21C22 (1)
Stoich.:	AB2C4D5E21F22 (1)
Weight, g/mol:	451.156577
ΔH_f, kcal/mol:	-78.32
Dipole, Da:	7.0
IP(EA), eV:	-8.97(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[4-(4-phenylpiperazine-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=NC=CC(=N4)Cl

DOS

IR

Vibrations