Geometry & MOs

Info

ID:	158282
PubChem CID:	56463293
Reduced:	S2N3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	408.198383
ΔH_f, kcal/mol:	-109.55
Dipole, Da:	4.74
IP(EA), eV:	-9.48(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=C(N=C(S2)CC(C)C)C

DOS

IR

Vibrations