Geometry & MOs

Info

ID:	261586
PubChem CID:	103241512
Reduced:	SN4O4C12H20 (1)
Stoich.:	AB4C4D12E20 (1)
Weight, g/mol:	304.109293
ΔH_f, kcal/mol:	-141.14
Dipole, Da:	7.42
IP(EA), eV:	-9.86(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[ethyl(methylsulfonyl)amino]propylamino]methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CCCNCC1=NC=NC=C1C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations