Geometry & MOs

Info

ID:	140772
PubChem CID:	52757611
Reduced:	BrFSN2O4C17H18 (1)
Stoich.:	ABCD2E4F17G18 (1)
Weight, g/mol:	438.042804
ΔH_f, kcal/mol:	-158.12
Dipole, Da:	8.81
IP(EA), eV:	-9.61(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]propyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NCCCNC(=O)C2=CC=CC=C2F)Br

DOS

IR

Vibrations