Geometry & MOs

Info

ID:	85520
PubChem CID:	49876333
Reduced:	ClSN4O4C31H34 (1)
Stoich.:	ABC4D4E31F34 (1)
Weight, g/mol:	554.112815
ΔH_f, kcal/mol:	0.7
Dipole, Da:	11.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.901446
Charge, e:	-1

Chem-info

IUPAC name:

N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide;chloride

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)C4=CC=C(C=C4)N(C)C.O.[Cl-]

DOS

IR

Vibrations