Geometry & MOs

Info

ID:	72617
PubChem CID:	48416365
Reduced:	O2S2N4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	-28.23
Dipole, Da:	1.09
IP(EA), eV:	-8.98(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC2=CSC(=N2)C3=CSC=C3)N4CCNC4=O

DOS

IR

Vibrations