Geometry & MOs

Info

ID:	202533
PubChem CID:	79682764
Reduced:	NS2O5C11H15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	259.051444
ΔH_f, kcal/mol:	-201.93
Dipole, Da:	3.39
IP(EA), eV:	-9.01(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydroxypropylsulfanyl)acetyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=O)CSCC(CO)O

DOS

IR

Vibrations