Geometry & MOs

Info

ID:	153649
PubChem CID:	56312934
Reduced:	SF3N5O5C18H20 (1)
Stoich.:	AB3C5D5E18F20 (1)
Weight, g/mol:	469.149384
ΔH_f, kcal/mol:	-223.19
Dipole, Da:	8.62
IP(EA), eV:	-9.47(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations