Geometry & MOs

Info

ID:	207786
PubChem CID:	80449762
Reduced:	OSN2C16H26 (1)
Stoich.:	ABC2D16E26 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-45.99
Dipole, Da:	7.32
IP(EA), eV:	-8.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C2=NC(=C(S2)C=O)C(C)CC

DOS

IR

Vibrations