Geometry & MOs

Info

ID:	130117
PubChem CID:	51074966
Reduced:	FSO2N4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-73.46
Dipole, Da:	6.84
IP(EA), eV:	-9.46(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1CCCCC2)NS(=O)(=O)C3=CC=CC(=C3)F

DOS

IR

Vibrations