Geometry & MOs

Info

ID:	37404
PubChem CID:	8020713
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-167.37
Dipole, Da:	2.11
IP(EA), eV:	-8.52(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations