Geometry & MOs

Info

ID:	361035
PubChem CID:	127301919
Reduced:	SO3N5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	352.211055
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	2.28
IP(EA), eV:	-8.93(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)CN3CCC(=O)NC3=O

DOS

IR

Vibrations