Geometry & MOs

Info

ID:	138325
PubChem CID:	52348450
Reduced:	SN2O3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	226.041213
ΔH_f, kcal/mol:	-73.86
Dipole, Da:	1.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773769
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)carbamoyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[N+]1=C(SC=C1)NC(=O)[C@H]2C[C@@H]2C(=O)O

DOS

IR

Vibrations