Geometry & MOs

Info

ID:	277434
PubChem CID:	103828487
Reduced:	F2N2O3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	313.069654
ΔH_f, kcal/mol:	-95.87
Dipole, Da:	7.75
IP(EA), eV:	-9.21(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC2=C(C=C(C=C2F)[N+](=O)[O-])F)O

DOS

IR

Vibrations