Geometry & MOs

Info

ID:	81720
PubChem CID:	49855049
Reduced:	ClON3H22C24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	541.23589
ΔH_f, kcal/mol:	68.5
Dipole, Da:	4.9
IP(EA), eV:	-8.48(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=CC(=C2)/C=C/C3=CC=C(C=C3)Cl

DOS

IR

Vibrations