Geometry & MOs

Info

ID:	194388
PubChem CID:	78527369
Reduced:	NSO7C20H25 (1)
Stoich.:	ABC7D20E25 (1)
Weight, g/mol:	349.127385
ΔH_f, kcal/mol:	-228.74
Dipole, Da:	9.12
IP(EA), eV:	-8.69(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-amino-1-methyl-2,4-dioxo-1,3-diazinan-5-yl)-2-oxoethyl] 2-(3-methylphenoxy)acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C=CC(=O)OCC(=O)N(C2CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations