Geometry & MOs

Info

ID:	368085
PubChem CID:	127327455
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	379.113667
ΔH_f, kcal/mol:	-1.47
Dipole, Da:	5.45
IP(EA), eV:	-8.77(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CC2)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations