Geometry & MOs

Info

ID:	71308
PubChem CID:	48414601
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	372.14337
ΔH_f, kcal/mol:	59.37
Dipole, Da:	3.54
IP(EA), eV:	-9.05(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CSC=C3

DOS

IR

Vibrations