Geometry & MOs

Info

ID:	282410
PubChem CID:	103925845
Reduced:	ClN2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	272.028935
ΔH_f, kcal/mol:	-94.94
Dipole, Da:	5.9
IP(EA), eV:	-10.45(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyl-1,3-thiazole-5-carbonyl)amino]thiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)(C(=O)O)NC(=O)C2=CC(=NC=C2)Cl

DOS

IR

Vibrations