Geometry & MOs

Info

ID:	81721
PubChem CID:	49855052
Reduced:	SN5O5C27H35 (1)
Stoich.:	AB5C5D27E35 (1)
Weight, g/mol:	553.23589
ΔH_f, kcal/mol:	-98.3
Dipole, Da:	5.85
IP(EA), eV:	-8.85(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(benzylamino)piperidin-1-yl]-N-hydroxy-3-[[4-[(2-methylpyridin-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)N4CCC(C4)CN(C)C

DOS

IR

Vibrations