Geometry & MOs

Info

ID:	170938
PubChem CID:	75303935
Reduced:	SF3O5N6C29H31 (1)
Stoich.:	AB3C5D6E29F31 (1)
Weight, g/mol:	541.199505
ΔH_f, kcal/mol:	-198.26
Dipole, Da:	9.66
IP(EA), eV:	-9.04(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=C(C=C3)OCC4=C5C=CC=CN5N=C4C(F)(F)F)C(=O)NO

DOS

IR

Vibrations