Geometry & MOs

Info

ID:	295560
PubChem CID:	117534227
Reduced:	NSO2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	231.071785
ΔH_f, kcal/mol:	-24.95
Dipole, Da:	3.27
IP(EA), eV:	-9.04(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-5-(2-methylphenyl)-1,3-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CC=CO2)C(=O)C

DOS

IR

Vibrations