Geometry & MOs

Info

ID:	349041
PubChem CID:	127274767
Reduced:	N3O4C21H33 (1)
Stoich.:	A3B4C21D33 (1)
Weight, g/mol:	397.167142
ΔH_f, kcal/mol:	-215.55
Dipole, Da:	6.47
IP(EA), eV:	-9.22(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)CC(=O)N2CCN(CC2)C(=O)CN3C(=O)CCC3=O

DOS

IR

Vibrations