Geometry & MOs

Info

ID:	353574
PubChem CID:	127285151
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-120.05
Dipole, Da:	2.66
IP(EA), eV:	-8.79(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)CCN3C(=O)CSC4=CC=CC=C43

DOS

IR

Vibrations