Geometry & MOs

Info

ID:	26511
PubChem CID:	650629
Reduced:	SO3N5C7H9 (1)
Stoich.:	AB3C5D7E9 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-39.2
Dipole, Da:	4.86
IP(EA), eV:	-9.17(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,6-dimethylpyrazin-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)N=CN2)NS(=O)(=O)C

DOS

IR

Vibrations