Geometry & MOs

Info

ID:	161676
PubChem CID:	57392305
Reduced:	SN3O3C15H15 (1)
Stoich.:	AB3C3D15E15 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	13.51
Dipole, Da:	10.75
IP(EA), eV:	-8.91(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-methyl-2-(propylamino)-1,3-thiazol-5-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCNC1=NC(=C(S1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations