Geometry & MOs

Info

ID:	207784
PubChem CID:	80449624
Reduced:	OSN2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-43.45
Dipole, Da:	7.37
IP(EA), eV:	-8.53(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-2-[cyclohexyl(methyl)amino]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C1=C(SC(=N1)N2CCCC2C(C)C)C=O

DOS

IR

Vibrations