Geometry & MOs

Info

ID:	62627
PubChem CID:	26725316
Reduced:	ClFS2N3O3H17C20 (1)
Stoich.:	ABC2D3E3F17G20 (1)
Weight, g/mol:	485.057897
ΔH_f, kcal/mol:	-84.83
Dipole, Da:	2.69
IP(EA), eV:	-9.18(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations