Geometry & MOs

Info

ID:	231343
PubChem CID:	87573512
Reduced:	SCl2O2N4H11C17 (1)
Stoich.:	AB2C2D4E11F17 (1)
Weight, g/mol:	254.033683
ΔH_f, kcal/mol:	16.99
Dipole, Da:	8.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.018054
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(aminomethyl)-2,3,6-trifluorophenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=[N+]2C(=C1)N(C(=O)/C(=C\3/C=CNC(=C3)Cl)/C2=O)CC4=CN=C(S4)Cl

DOS

IR

Vibrations