Geometry & MOs

Info

ID:	158287
PubChem CID:	56463298
Reduced:	O4N5C21H27 (1)
Stoich.:	A4B5C21D27 (1)
Weight, g/mol:	413.213698
ΔH_f, kcal/mol:	-122.88
Dipole, Da:	2.4
IP(EA), eV:	-9.42(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one

Drug info:

PubChemData

Smile

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CCN3CCCC3=O

DOS

IR

Vibrations