Geometry & MOs

Info

ID:	227183
PubChem CID:	87560481
Reduced:	ZnO2N3S4C7H15 (1)
Stoich.:	AB2C3D4E7F15 (1)
Weight, g/mol:	424.98481
ΔH_f, kcal/mol:	-98.36
Dipole, Da:	3.01
IP(EA), eV:	-8.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(2-iodopyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=S)[S-].CN(C)C(=S)[S-].C(=O)(N)O.[Zn+2]

DOS

IR

Vibrations