Geometry & MOs

Info

ID:	129417
PubChem CID:	51072525
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	334.098728
ΔH_f, kcal/mol:	-154.24
Dipole, Da:	8.03
IP(EA), eV:	-8.85(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC2=CC3=C(C=C2)OCCO3)C(=O)N

DOS

IR

Vibrations