Geometry & MOs

Info

ID:	208711
PubChem CID:	80569545
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	268.03402
ΔH_f, kcal/mol:	-80.82
Dipole, Da:	8.05
IP(EA), eV:	-9.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCCCC1NC2=NC(=CS2)C(=O)O)C

DOS

IR

Vibrations