Geometry & MOs

Info

ID:	174669
PubChem CID:	75804956
Reduced:	N5O6C20H28 (1)
Stoich.:	A5B6C20D28 (1)
Weight, g/mol:	435.211784
ΔH_f, kcal/mol:	-150.74
Dipole, Da:	6.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769997
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[2-[(2-hydroxy-6-oxo-1,3-diazinan-4-yl)methylidene]hydrazinyl]-6-oxohexyl]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCCCCC(=O)NN=CC2CC(=O)NC(N2)[O-])OC

DOS

IR

Vibrations