Geometry & MOs

Info

ID:	223671
PubChem CID:	85335399
Reduced:	SF2N3O4C23H29 (1)
Stoich.:	AB2C3D4E23F29 (1)
Weight, g/mol:	481.167142
ΔH_f, kcal/mol:	-228.41
Dipole, Da:	4.29
IP(EA), eV:	-8.79(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-[3-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)NC1=CC=C(C=C1)CC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations