Geometry & MOs

Info

ID:	162604
PubChem CID:	57410685
Reduced:	ClRhO4C16H24 (1)
Stoich.:	ABC4D16E24 (1)
Weight, g/mol:	464.188212
ΔH_f, kcal/mol:	122.83
Dipole, Da:	9.79
IP(EA), eV:	-9.45(-5.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

C1CC=CCCC=C1.C1CC=CCCC=C1.[O-]Cl(=O)(=O)=O.[Rh]

DOS

IR

Vibrations