Geometry & MOs

Info

ID:	349879
PubChem CID:	127276485
Reduced:	SN2O2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-104.9
Dipole, Da:	5.44
IP(EA), eV:	-9.0(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations