Geometry & MOs

Info

ID:	81639
PubChem CID:	49854952
Reduced:	SN4O6C24H28 (1)
Stoich.:	AB4C6D24E28 (1)
Weight, g/mol:	541.23589
ΔH_f, kcal/mol:	-139.06
Dipole, Da:	6.97
IP(EA), eV:	-9.05(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)NC[C@H](C(=O)NO)N4CCOCC4

DOS

IR

Vibrations