Geometry & MOs

Info

ID:	172487
PubChem CID:	75515111
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	345.060569
ΔH_f, kcal/mol:	-50.4
Dipole, Da:	4.96
IP(EA), eV:	-8.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-phenyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN2CCOC(C2)C3CCCO3)OC4=CN=CC=C4)C

DOS

IR

Vibrations