Geometry & MOs

Info

ID:	183424
PubChem CID:	77021590
Reduced:	SO2N4C13H24 (1)
Stoich.:	AB2C4D13E24 (1)
Weight, g/mol:	291.092915
ΔH_f, kcal/mol:	-57.28
Dipole, Da:	5.06
IP(EA), eV:	-8.58(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methyl-4-(thiolane-2-carbonylamino)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C(=NO)N)N1CCN(CC1)C(=O)C2CCSC2

DOS

IR

Vibrations