Geometry & MOs

Info

ID:	192499
PubChem CID:	78276872
Reduced:	SO2N5C22H31 (1)
Stoich.:	AB2C5D22E31 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-55.28
Dipole, Da:	2.24
IP(EA), eV:	-8.9(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCN1C2NN=C(N2C3CCCCC3C1=O)SCC(=O)NC4=C(C=CC=C4C)C

DOS

IR

Vibrations