Geometry & MOs

Info

ID:	279391
PubChem CID:	103843692
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	302.11227
ΔH_f, kcal/mol:	-84.34
Dipole, Da:	3.07
IP(EA), eV:	-9.6(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=C(NN=C1)C)CO

DOS

IR

Vibrations