Geometry & MOs

Info

ID:	268325
PubChem CID:	103598926
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	343.099063
ΔH_f, kcal/mol:	15.69
Dipole, Da:	4.75
IP(EA), eV:	-8.53(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-nitrophenyl)methyl]-N-prop-2-enylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C=N1)NC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations