Geometry & MOs

Info

ID:	280125
PubChem CID:	103847042
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	254.083747
ΔH_f, kcal/mol:	-45.52
Dipole, Da:	3.96
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-cyanopyridin-3-yl)amino]propyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NCCC2=CSC(=N2)C)C(=O)OC

DOS

IR

Vibrations