Geometry & MOs

Info

ID:	187096
PubChem CID:	77530088
Reduced:	ClSF4N5O7C21H26 (1)
Stoich.:	ABC4D5E7F21G26 (1)
Weight, g/mol:	489.124896
ΔH_f, kcal/mol:	-484.13
Dipole, Da:	4.26
IP(EA), eV:	-8.96(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-chloro-5-fluoro-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C(C(=O)N)NS(=O)(=O)C2=CC(=CC(=C2Cl)N3CCCCC3=O)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations