Geometry & MOs

Info

ID:	208710
PubChem CID:	80569544
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-65.52
Dipole, Da:	3.43
IP(EA), eV:	-8.79(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)NCC2C(C2(C)C)(C)C

DOS

IR

Vibrations