Geometry & MOs

Info

ID:	261979
PubChem CID:	103264072
Reduced:	NSO2C11H21 (1)
Stoich.:	ABC2D11E21 (1)
Weight, g/mol:	245.072179
ΔH_f, kcal/mol:	-91.05
Dipole, Da:	2.88
IP(EA), eV:	-8.58(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylsulfinylpropan-2-ylamino)methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CCNCCCCSC)C(=O)OC

DOS

IR

Vibrations