Geometry & MOs

Info

ID:	260682
PubChem CID:	103199718
Reduced:	SN2O4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	-104.04
Dipole, Da:	4.9
IP(EA), eV:	-8.55(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-heptan-4-yl-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=N1)C2=C3C(=CC=C2)OCCO3)N

DOS

IR

Vibrations