Geometry & MOs

Info

ID:	72606
PubChem CID:	48416354
Reduced:	SN4O4C16H20 (1)
Stoich.:	AB4C4D16E20 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-66.37
Dipole, Da:	9.43
IP(EA), eV:	-8.86(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[3-oxo-3-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations