Geometry & MOs

Info

ID:	277456
PubChem CID:	103828653
Reduced:	F2N2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	299.054004
ΔH_f, kcal/mol:	-137.91
Dipole, Da:	7.26
IP(EA), eV:	-9.27(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,6-difluoro-4-nitroaniline

Drug info:

PubChemData

Smile

C1CCC(C(C1)CO)NC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations