Geometry & MOs

Info

ID:	200508
PubChem CID:	79401982
Reduced:	O2S2N3C10H11 (1)
Stoich.:	A2B2C3D10E11 (1)
Weight, g/mol:	284.094312
ΔH_f, kcal/mol:	-30.08
Dipole, Da:	3.34
IP(EA), eV:	-9.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(2-piperazin-1-ylacetyl)amino]-1,2-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC2=C(C(=NS2)C)C(=O)O

DOS

IR

Vibrations