Geometry & MOs

Info

ID:	72635
PubChem CID:	48416383
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	417.164833
ΔH_f, kcal/mol:	-115.42
Dipole, Da:	4.98
IP(EA), eV:	-9.44(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCC(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations