Geometry & MOs

Info

ID:	165495
PubChem CID:	74558450
Reduced:	N2O3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	415.088972
ΔH_f, kcal/mol:	-67.8
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752581
Charge, e:	-2

Chem-info

IUPAC name:

6-[2-(2-fluorophenyl)-4-oxido-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]hexanoate

Drug info:

PubChemData

Smile

C[NH+]1CCCCC1CN(C)C(=O)C2=CC=C(O2)OC

DOS

IR

Vibrations