Geometry & MOs

Info

ID:	279392
PubChem CID:	103843694
Reduced:	N2O2S2C13H22 (1)
Stoich.:	A2B2C2D13E22 (1)
Weight, g/mol:	319.02416
ΔH_f, kcal/mol:	-99.08
Dipole, Da:	3.5
IP(EA), eV:	-8.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)CC1=C(NC(=S)S1)C)CO

DOS

IR

Vibrations