Geometry & MOs

Info

ID:	207273
PubChem CID:	80368809
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	282.078662
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	6.14
IP(EA), eV:	-9.9(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(CC1C(=O)O)C(=O)C2=NNC(=N2)C(C)(C)C

DOS

IR

Vibrations