Geometry & MOs

Info

ID:	36661
PubChem CID:	8010472
Reduced:	NO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	411.088892
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	3.41
IP(EA), eV:	-8.51(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-acetylphenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)O

DOS

IR

Vibrations