Geometry & MOs

Info

ID:	81443
PubChem CID:	49854731
Reduced:	SN4O5C22H32 (1)
Stoich.:	AB4C5D22E32 (1)
Weight, g/mol:	512.209341
ΔH_f, kcal/mol:	-142.15
Dipole, Da:	6.86
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC)[C@@H](CNS(=O)(=O)C1=CC=C(C=C1)OCC2=CC(=NC(=C2)C)C)C(=O)NO

DOS

IR

Vibrations