Geometry & MOs

Info

ID:	260685
PubChem CID:	103199992
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-84.66
Dipole, Da:	5.98
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(3-methyl-1-adamantyl)-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CCC2=NC(=C(S2)N)C(=O)O

DOS

IR

Vibrations