Geometry & MOs

Info

ID:	61008
PubChem CID:	26704198
Reduced:	FSO3N4H19C24 (1)
Stoich.:	ABC3D4E19F24 (1)
Weight, g/mol:	327.99519
ΔH_f, kcal/mol:	-44.02
Dipole, Da:	5.64
IP(EA), eV:	-9.06(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-4-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)NCCN3C(=O)/C(=C/C4=CC=CC=C4F)/SC3=O

DOS

IR

Vibrations