Geometry & MOs

Info

ID:	317396
PubChem CID:	126637220
Reduced:	N5H37C52 (1)
Stoich.:	A5B37C52 (1)
Weight, g/mol:	282.064983
ΔH_f, kcal/mol:	277.34
Dipole, Da:	3.24
IP(EA), eV:	-7.92(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-1-[6-(trifluoromethyl)pyridin-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

C/C(=C\C(=C/C=C)\N1C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1C=C5C(=C4)C6=CC=CC=C6N5C7=CC=CC=C7)/C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations