Geometry & MOs

Info

ID:	321187
PubChem CID:	126665143
Reduced:	SO3N5C17H17 (1)
Stoich.:	AB3C5D17E17 (1)
Weight, g/mol:	403.167811
ΔH_f, kcal/mol:	-25.24
Dipole, Da:	3.32
IP(EA), eV:	-9.08(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(azepan-1-ylsulfonylamino)-6-methyl-3-pyridin-4-ylpyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NCN(C=C1)S(=O)(=O)C2=CN=CC(=C2)C3=CC(=NC=C3)NC(=O)C

DOS

IR

Vibrations