Geometry & MOs

Info

ID:	72621
PubChem CID:	48416369
Reduced:	ClN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	403.149183
ΔH_f, kcal/mol:	-84.0
Dipole, Da:	2.44
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-4-[2-oxo-2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)Cl)N4CCNC4=O

DOS

IR

Vibrations