Geometry & MOs

Info

ID:	138324
PubChem CID:	52348277
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	227.049038
ΔH_f, kcal/mol:	-42.62
Dipole, Da:	1.86
IP(EA), eV:	-9.39(0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1S,2S)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)NC1CCCCCCC1)CN2C=CC=N2

DOS

IR

Vibrations