Geometry & MOs

Info

ID:	243265
PubChem CID:	99218064
Reduced:	NSF3O3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	401.98492
ΔH_f, kcal/mol:	-212.89
Dipole, Da:	2.98
IP(EA), eV:	-9.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(2,6-difluoro-N-methylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1=C(C=CC=C1F)F)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations