Geometry & MOs

Info

ID:	23226
PubChem CID:	602886
Reduced:	SN2O3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	242.072513
ΔH_f, kcal/mol:	-137.94
Dipole, Da:	4.06
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC(C)C)N)C(=O)N

DOS

IR

Vibrations