Geometry & MOs

Info

ID:	434442
PubChem CID:	135174928
Reduced:	N2S2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	430.305624
ΔH_f, kcal/mol:	69.61
Dipole, Da:	2.18
IP(EA), eV:	-8.65(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[3-[4-methyl-3-[1-methyl-4-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]piperazin-2-yl]piperazin-1-yl]propyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC(=C)NCC1=CSC(=N1)C2=CC=CS2

DOS

IR

Vibrations