Geometry & MOs

Info

ID:	356919
PubChem CID:	127292527
Reduced:	OSN5C20H35 (1)
Stoich.:	ABC5D20E35 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-44.13
Dipole, Da:	3.98
IP(EA), eV:	-8.46(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-oxo-2-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NC(C)C3=NC(=CS3)C(C)(C)C

DOS

IR

Vibrations