Geometry & MOs

Info

ID:	355211
PubChem CID:	127288143
Reduced:	SN2O2C12H26 (1)
Stoich.:	AB2C2D12E26 (1)
Weight, g/mol:	296.14193
ΔH_f, kcal/mol:	-124.45
Dipole, Da:	3.94
IP(EA), eV:	-9.55(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CCC(C(C)(C)C)NS(=O)(=O)N1CCCCC1

DOS

IR

Vibrations