Geometry & MOs

Info

ID:	230918
PubChem CID:	87572248
Reduced:	S2N4O4C23H26 (1)
Stoich.:	A2B4C4D23E26 (1)
Weight, g/mol:	268.049333
ΔH_f, kcal/mol:	-60.22
Dipole, Da:	1.29
IP(EA), eV:	-9.03(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1R)-1-aminoethyl]-2,3,6-trifluorophenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC(C2=CC=C(C=C2)S(=O)(=O)C3CC3)C(=O)NC4=NC5=C(S4)N=CC=C5

DOS

IR

Vibrations