Geometry & MOs

Info

ID:	208733
PubChem CID:	80572593
Reduced:	NSO2F3H10C13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-192.87
Dipole, Da:	3.05
IP(EA), eV:	-9.97(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,4-dimethylcyclohexyl)amino]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(S1)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations