Geometry & MOs

Info

ID:	269501
PubChem CID:	103617754
Reduced:	SN3O4H9C13 (1)
Stoich.:	AB3C4D9E13 (1)
Weight, g/mol:	287.072848
ΔH_f, kcal/mol:	7.38
Dipole, Da:	4.84
IP(EA), eV:	-9.44(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyanomethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC#N)NC(=O)C2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations