Geometry & MOs

Info

ID:	236260
PubChem CID:	92712109
Reduced:	N2S2O3F4H14C15 (1)
Stoich.:	A2B2C3D4E14F15 (1)
Weight, g/mol:	416.191583
ΔH_f, kcal/mol:	-250.21
Dipole, Da:	7.64
IP(EA), eV:	-9.64(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-(4-ethylpiperazin-1-yl)propyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1=C(C(=CC(=C1F)F)F)F)NS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations