Geometry & MOs

Info

ID:	140114
PubChem CID:	52649548
Reduced:	BrFO2N3H19C22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	394.025741
ΔH_f, kcal/mol:	-31.04
Dipole, Da:	2.32
IP(EA), eV:	-8.62(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-3-(thiophen-2-ylsulfonylamino)benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CN=C(C=C3)OC4=CC=C(C=C4)Br

DOS

IR

Vibrations