Geometry & MOs

Info

ID:	244133
PubChem CID:	99319088
Reduced:	ClF2N2O3H17C18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	451.137734
ΔH_f, kcal/mol:	-185.25
Dipole, Da:	2.37
IP(EA), eV:	-9.45(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCNC(=O)C1=C(C=C(C=C1)F)F)OC2=CC=CC=C2Cl

DOS

IR

Vibrations