Geometry & MOs

Info

ID:	268934
PubChem CID:	103602613
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	271.124215
ΔH_f, kcal/mol:	-143.19
Dipole, Da:	4.1
IP(EA), eV:	-9.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(=O)C1=CC2=C(S1)CCC(C2)C

DOS

IR

Vibrations