Geometry & MOs

Info

ID:	356916
PubChem CID:	127292524
Reduced:	SO2N5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	393.165703
ΔH_f, kcal/mol:	-82.37
Dipole, Da:	3.38
IP(EA), eV:	-9.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C(C)(C)C)NC(=O)N2CCC(CC2)N3CCNC3=O

DOS

IR

Vibrations