Geometry & MOs

Info

ID:	295828
PubChem CID:	117545138
Reduced:	NSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	251.053548
ΔH_f, kcal/mol:	-49.03
Dipole, Da:	4.69
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-5-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C2=C(N=C(S2)CO)C

DOS

IR

Vibrations