Geometry & MOs

Info

ID:	81724
PubChem CID:	49855055
Reduced:	SN3O7C25H31 (1)
Stoich.:	AB3C7D25E31 (1)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-191.0
Dipole, Da:	6.23
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(C2=CC=CC=C2O1)COC3=CC=C(C=C3)S(=O)(=O)NC[C@@H](C(=O)NO)N4CCOCC4

DOS

IR

Vibrations