Geometry & MOs

Info

ID:	362083
PubChem CID:	127305760
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	11.74
IP(EA), eV:	-9.03(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4

DOS

IR

Vibrations