Geometry & MOs

Info

ID:	448694
PubChem CID:	135292832
Reduced:	N3O7C14H15 (1)
Stoich.:	A3B7C14D15 (1)
Weight, g/mol:	608.196587
ΔH_f, kcal/mol:	-258.32
Dipole, Da:	5.51
IP(EA), eV:	-9.04(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-hydroxy-2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-[[4-[(2,2,3,3,5,5,6,6-octahydroxymorpholin-4-yl)methyl]phenyl]methylamino]benzaldehyde

Drug info:

PubChemData

Smile

CNC(=O)C(CCC=O)N1C(=O)C2=C(C1=O)C(=C(C(=C2N)O)O)O

DOS

IR

Vibrations