Geometry & MOs

Info

ID:	26935
PubChem CID:	804486
Reduced:	ClF3N3H11C16 (1)
Stoich.:	AB3C3D11E16 (1)
Weight, g/mol:	263.036462
ΔH_f, kcal/mol:	-73.46
Dipole, Da:	4.67
IP(EA), eV:	-8.86(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CC2=C(N3C(=C(C=N3)C4=CC=C(C=C4)Cl)N=C2C1)C(F)(F)F

DOS

IR

Vibrations