Geometry & MOs

Info

ID:	431028
PubChem CID:	135171098
Reduced:	ON2C28H34 (1)
Stoich.:	AB2C28D34 (1)
Weight, g/mol:	370.1021
ΔH_f, kcal/mol:	-12.85
Dipole, Da:	4.1
IP(EA), eV:	-8.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-[2-[(5-oxothiolane-3-carbonyl)amino]cyclohexyl]thiolane-3-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)CC[C@@H]2CCC3=CC=CC=C23)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations