Geometry & MOs

Info

ID:	139827
PubChem CID:	52603475
Reduced:	FN2O4C15H15 (1)
Stoich.:	AB2C4D15E15 (1)
Weight, g/mol:	459.056816
ΔH_f, kcal/mol:	-144.49
Dipole, Da:	1.75
IP(EA), eV:	-9.59(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOCCOC(=O)C1=NN(C(=O)C=C1)C2=CC=C(C=C2)F

DOS

IR

Vibrations