Geometry & MOs

Info

ID:	183440
PubChem CID:	77021606
Reduced:	SO2N4C12H24 (1)
Stoich.:	AB2C4D12E24 (1)
Weight, g/mol:	285.049336
ΔH_f, kcal/mol:	-56.82
Dipole, Da:	2.21
IP(EA), eV:	-8.68(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[methyl-(2-methylsulfanylacetyl)amino]methyl]thiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations