Geometry & MOs

Info

ID:	81224
PubChem CID:	49854481
Reduced:	ClSN3O4C24H24 (1)
Stoich.:	ABC3D4E24F24 (1)
Weight, g/mol:	501.172228
ΔH_f, kcal/mol:	-86.27
Dipole, Da:	9.14
IP(EA), eV:	-8.3(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]naphthalene-2-sulfonamide

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=C4

DOS

IR

Vibrations