Geometry & MOs

Info

ID:	77500
PubChem CID:	49648843
Reduced:	NS2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	345.103479
ΔH_f, kcal/mol:	-82.67
Dipole, Da:	3.45
IP(EA), eV:	-8.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isothiochromen-4-yl 4-(furan-2-carbonylamino)butanoate

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2CS1)OC(=O)CCNC(=O)C3=CC=CS3

DOS

IR

Vibrations