Geometry & MOs

Info

ID:	62344
PubChem CID:	26719390
Reduced:	N3O8H15C16 (1)
Stoich.:	A3B8C15D16 (1)
Weight, g/mol:	343.042691
ΔH_f, kcal/mol:	-107.41
Dipole, Da:	9.59
IP(EA), eV:	-9.57(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-(3-nitrophenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-])OC)OC

DOS

IR

Vibrations