Geometry & MOs

Info

ID:	253211
PubChem CID:	103116822
Reduced:	SN3O3C13H13 (1)
Stoich.:	AB3C3D13E13 (1)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	8.84
IP(EA), eV:	-9.33(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1N(C(CS1)C(=O)O)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations