Geometry & MOs

Info

ID:	269150
PubChem CID:	103616105
Reduced:	SN2O5C11H18 (1)
Stoich.:	AB2C5D11E18 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-176.49
Dipole, Da:	4.51
IP(EA), eV:	-9.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-(butylamino)ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CO1)CNCCCNS(=O)(=O)C

DOS

IR

Vibrations