Geometry & MOs

Info

ID:	81637
PubChem CID:	49854950
Reduced:	SN3O6C23H31 (1)
Stoich.:	AB3C6D23E31 (1)
Weight, g/mol:	491.209007
ΔH_f, kcal/mol:	-164.56
Dipole, Da:	6.63
IP(EA), eV:	-8.83(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=CC=C(C=C2)S(=O)(=O)NC[C@@H](C(=O)NO)N3CCCCOCC3

DOS

IR

Vibrations