Geometry & MOs

Info

ID:	140621
PubChem CID:	52731211
Reduced:	N3O8C20H29 (1)
Stoich.:	A3B8C20D29 (1)
Weight, g/mol:	423.95426
ΔH_f, kcal/mol:	-249.97
Dipole, Da:	4.19
IP(EA), eV:	-9.16(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluorophenyl)-N-(3-iodopyridin-2-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

DOS

IR

Vibrations