Geometry & MOs

Info

ID:	154831
PubChem CID:	56314369
Reduced:	BrNF3O4C18H19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	436.14905
ΔH_f, kcal/mol:	-264.58
Dipole, Da:	3.32
IP(EA), eV:	-9.08(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylcyclohexyl)oxyethyl]-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(O1)Br)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations