Geometry & MOs

Info

ID:	352292
PubChem CID:	127283376
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-77.5
Dipole, Da:	3.91
IP(EA), eV:	-8.63(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethyl]azepan-2-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations