Geometry & MOs

Info

ID:	261667
PubChem CID:	103244665
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-28.58
Dipole, Da:	5.85
IP(EA), eV:	-9.51(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[3-(dimethylamino)-3-oxopropyl]amino]methyl]-2-methylfuran-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CS1)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations