Geometry & MOs

Info

ID:	43517
PubChem CID:	10321412
Reduced:	SN2Cl3O3H17C18 (1)
Stoich.:	AB2C3D3E17F18 (1)
Weight, g/mol:	447.046726
ΔH_f, kcal/mol:	-81.93
Dipole, Da:	4.37
IP(EA), eV:	-8.25(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CNC2=C1C=C(C=C2)OC)NS(=O)(=O)C3=C(C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations