Geometry & MOs

Info

ID:	128078
PubChem CID:	51030370
Reduced:	O4N5C25H29 (1)
Stoich.:	A4B5C25D29 (1)
Weight, g/mol:	595.246455
ΔH_f, kcal/mol:	-52.74
Dipole, Da:	3.09
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyclopropylquinolin-4-yl)methoxy]-N-[(2S)-3-(hydroxyamino)-3-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

C1CNCCN(C1)[C@@H](CNC(=O)C2=CC=C(C=C2)OCC3=CC=NC4=CC=CC=C34)C(=O)NO

DOS

IR

Vibrations